Methyl 2-amino-5-phenylthiophene-3-carboxylate
Methyl 2-amino-5-phenylthiophene-3-carboxylate structure
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Common Name | Methyl 2-amino-5-phenylthiophene-3-carboxylate | ||
|---|---|---|---|---|
| CAS Number | 61325-02-8 | Molecular Weight | 233.28600 | |
| Density | 1.265g/cm3 | Boiling Point | 405.7ºC at 760 mmHg | |
| Molecular Formula | C12H11NO2S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 199.1ºC | |
Summary: Methyl 2-amino-5-phenylthiophene-3-carboxylate, Chinese name: 2-氨基-5-苯基噻吩-3-甲酸甲酯, CAS number: 61325-02-8, molecular formula: C12H11NO2S, molecular weight: 233.28600. For research-use only, not for medical or clinical usage.
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Methyl 2-amino-5-phenylthiophene-3-carboxylate |
|---|---|
| Synonym | More Synonyms |
This table shows physicochemical parameters including melting point, boiling point, density, solubility and optical rotation. Missing data is marked as N/A.
| Density | 1.265g/cm3 |
|---|---|
| Boiling Point | 405.7ºC at 760 mmHg |
| Molecular Formula | C12H11NO2S |
| Molecular Weight | 233.28600 |
| Flash Point | 199.1ºC |
| Exact Mass | 233.05100 |
| PSA | 80.56000 |
| LogP | 3.36510 |
| Index of Refraction | 1.625 |
| InChIKey | QKYRXLPXSJZIQM-UHFFFAOYSA-N |
| SMILES | COC(=O)c1cc(-c2ccccc2)sc1N |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| HS Code | 2934999090 |
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This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~99%
Methyl 2-amino-... CAS#:61325-02-8 |
| Literature: ASTRAZENECA AB; ASTRAZENECA UK LIMITED Patent: WO2005/66163 A2, 2005 ; Location in patent: Page/Page column 55 ; WO 2005/066163 A2 |
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~71%
Methyl 2-amino-... CAS#:61325-02-8 |
| Literature: Gopinath, Purushothaman; Chandrasekaran, Srinivasan Journal of Organic Chemistry, 2011 , vol. 76, # 2 p. 700 - 703 |
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~%
Methyl 2-amino-... CAS#:61325-02-8 |
| Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 18, # 14 p. 4242 - 4248 |
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~%
Methyl 2-amino-... CAS#:61325-02-8 |
| Literature: Journal of Organic Chemistry, , vol. 76, # 2 p. 700 - 703 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 1 | |
![N-[2-(2,6-DIMETHYLPHENOXY)ETHYL]-N-METHYLAMINE structure](https://image.chemsrc.com/caspic/007/14770-84-4.png)
CAS#:14770-84-4This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2934999090 |
|---|---|
| Summary | 2934999090. other heterocyclic compounds. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0% |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Primary cell-based high-throughput screening assay for identification of compounds th...
Source: Johns Hopkins Ion Channel Center
Target: regulator of G-protein signaling 4 isoform 2 [Homo sapiens]
External Id: JHICC_RGS_Act_HTS
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Name: Luminescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: mu-type opioid receptor isoform MOR-1 [Homo sapiens]
External Id: OPRM1-OPRD1_AG_LUMI_1536_1X%ACT PRUN
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Name: QFRET-based biochemical primary high throughput screening assay to identify exosite i...
Source: The Scripps Research Institute Molecular Screening Center
Target: disintegrin and metalloproteinase domain-containing protein 17 preproprotein [Homo sapiens]
External Id: ADAM17_INH_QFRET_1536_1X%INH PRUN
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify ago...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_AG_FLUO8_1536_1X%ACT PRUN
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Name: uHTS identification of small molecule activators of the adaptive arm of the Unfolded ...
Source: Burnham Center for Chemical Genomics
Target: N/A
External Id: BCCG-A405-UPR-XBP1-PrimaryAgonist-Assay
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Name: A screen for compounds that inhibit the activity of LtaS in Staphylococcus aureus
Source: ICCB-Longwood/NSRB Screening Facility, Harvard Medical School
External Id: HMS979
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Name: High throughput fluorescence intensity-based biochemical assay to screen for small mo...
Source: University of Pittsburgh Molecular Library Screening Center
Target: furin (paired basic amino acid cleaving enzyme), isoform CRA_a [Homo sapiens]
External Id: MH080376 Biochemical HTS for Inhibitors of the Proprotein Convertase Furin.
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Name: Fluorescence polarization to screen for inhibitor that competite the binding of FadD2...
Source: Broad Institute
Target: FATTY-ACID-CoA LIGASE FADD28 (FATTY-ACID-CoA SYNTHETASE)
External Id: 2147-01_Inhibitor_SinglePoint_HTS_Activity
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Name: Fluorescence-based cell-based primary high throughput screening assay to identify pos...
Source: The Scripps Research Institute Molecular Screening Center
Target: muscarinic acetylcholine receptor M1 [Homo sapiens]
External Id: CHRM1_PAM_FLUO8_1536_1X%ACT PRUN
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Name: Fluorescence polarization-based biochemical high throughput primary assay to identify...
Source: The Scripps Research Institute Molecular Screening Center
Target: RecName: Full=Sialate O-acetylesterase; AltName: Full=H-Lse; AltName: Full=Sialic acid-specific 9-O-acetylesterase; Flags: Precursor [Homo sapiens]
External Id: SIAE_INH_FP_1536_1X%INH PRUN
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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| methyl 2-amino-5-phenyl-3-thiophenecarboxylate |
| 2-amino-5-phenylthiophen-3-carboxylic acid methyl ester |
| Methyl 2-amino-5-phenyl-thiophene-3-carboxylate |
| 2-Amino-5-phenyl-3-thiophencarbonsaeuremethylester |
| 2-Amino-5-phenyl-thiophene-3-carboxylic acid methyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does Methyl 2-amino-5-phenylthiophene-3-carboxylate have? |
| A: English synonyms of Methyl 2-amino-5-phenylthiophene-3-carboxylate: methyl 2-amino-5-phenyl-3-thiophenecarboxylate, 2-amino-5-phenylthiophen-3-carboxylic acid methyl ester, Methyl 2-amino-5-phenyl-thiophene-3-carboxylate, 2-Amino-5-phenyl-3-thiophencarbonsaeuremethylester, 2-Amino-5-phenyl-thiophene-3-carboxylic acid methyl ester. |
| Q: What is the English name of Methyl 2-amino-5-phenylthiophene-3-carboxylate? |
| A: The English name of Methyl 2-amino-5-phenylthiophene-3-carboxylate is Methyl 2-amino-5-phenylthiophene-3-carboxylate. |
| Q: What is the LogP of Methyl 2-amino-5-phenylthiophene-3-carboxylate? |
| A: LogP of Methyl 2-amino-5-phenylthiophene-3-carboxylate is 3.36510. |
| Q: What is the polar surface area (PSA) of Methyl 2-amino-5-phenylthiophene-3-carboxylate? |
| A: Polar surface area (PSA) of Methyl 2-amino-5-phenylthiophene-3-carboxylate is 80.56000. |
| Q: What is the SMILES notation of Methyl 2-amino-5-phenylthiophene-3-carboxylate? |
| A: SMILES notation of Methyl 2-amino-5-phenylthiophene-3-carboxylate is COC(=O)c1cc(-c2ccccc2)sc1N. |
| Q: What is the CAS number of Methyl 2-amino-5-phenylthiophene-3-carboxylate? |
| A: CAS number of Methyl 2-amino-5-phenylthiophene-3-carboxylate is 61325-02-8. |
| Q: What are the downstream products of Methyl 2-amino-5-phenylthiophene-3-carboxylate? |
| A: Related downstream products(CAS) of Methyl 2-amino-5-phenylthiophene-3-carboxylate: 14770-84-4. |
| Q: What are the upstream materials of Methyl 2-amino-5-phenylthiophene-3-carboxylate? |
| A: Related upstream materials(CAS) of Methyl 2-amino-5-phenylthiophene-3-carboxylate: 122-78-1;105-34-0;570419-61-3. |
| Q: What is the molecular formula of Methyl 2-amino-5-phenylthiophene-3-carboxylate? |
| A: Molecular formula of Methyl 2-amino-5-phenylthiophene-3-carboxylate is C12H11NO2S. |
| Q: What is the InChIKey of Methyl 2-amino-5-phenylthiophene-3-carboxylate? |
| A: InChIKey of Methyl 2-amino-5-phenylthiophene-3-carboxylate is QKYRXLPXSJZIQM-UHFFFAOYSA-N. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Dayang Chem (Hangzhou) Co., Ltd. |