(3-Formyl-2-methyl-indol-1-yl)-acetic acid
(3-Formyl-2-methyl-indol-1-yl)-acetic acid structure
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Common Name | (3-Formyl-2-methyl-indol-1-yl)-acetic acid | ||
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| CAS Number | 432001-45-1 | Molecular Weight | 217.22100 | |
| Density | 1.27g/cm3 | Boiling Point | 465.2ºC at 760 mmHg | |
| Molecular Formula | C12H11NO3 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 235.2ºC | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | (3-Formyl-2-methyl-indol-1-yl)-acetic acid |
|---|---|
| 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 | 1.27g/cm3 |
|---|---|
| Boiling Point | 465.2ºC at 760 mmHg |
| Molecular Formula | C12H11NO3 |
| Molecular Weight | 217.22100 |
| Flash Point | 235.2ºC |
| Exact Mass | 217.07400 |
| PSA | 59.30000 |
| LogP | 1.84680 |
| Index of Refraction | 1.609 |
| InChIKey | SPDRKMLFDFIREG-UHFFFAOYSA-N |
| SMILES | Cc1c(C=O)c2ccccc2n1CC(=O)O |
This table covers safety warnings, protective measures, incompatible substances and disposal guidelines for this compound.
| Hazard Codes | Xi |
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| HS Code | 2933990090 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~%
(3-Formyl-2-met... CAS#:432001-45-1 |
| Literature: Courant, Jacqueline; Leblois, Danielle; Tandon, Manju; Robert-Piessard, Sylvie; le Baut, Guillaume; et al. European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 145 - 154 |
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~%
(3-Formyl-2-met... CAS#:432001-45-1 |
| Literature: Courant, Jacqueline; Leblois, Danielle; Tandon, Manju; Robert-Piessard, Sylvie; le Baut, Guillaume; et al. European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 145 - 154 |
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~%
(3-Formyl-2-met... CAS#:432001-45-1 |
| Literature: Courant, Jacqueline; Leblois, Danielle; Tandon, Manju; Robert-Piessard, Sylvie; le Baut, Guillaume; et al. European Journal of Medicinal Chemistry, 1989 , vol. 24, p. 145 - 154 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 3 | |
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| DownStream 0 | |
This table shows customs‑related data including HS‑code, tariff and regulatory conditions for import and export.
| HS Code | 2933990090 |
|---|---|
| Summary | 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. 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: 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: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfect...
Source: Broad Institute
Target: N/A
External Id: Bursicon-induced LGR2 mediated cAMP production in LGR-2/CRE6x-Luciferase co-transfected HEK293 cells Inhibition - 7011-01_Antagonist_SinglePoint_HTS_Activity
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Name: Primary Screen Inhibitors of CD40 Signaling in BL2 Cells Measured in Cell-Based Syste...
Source: Broad Institute
Target: N/A
External Id: 7124-01_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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This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| 2-(3-formyl-2-methylindol-1-yl)acetic acid |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What English synonyms does (3-Formyl-2-methyl-indol-1-yl)-acetic acid have? |
| A: English synonyms of (3-Formyl-2-methyl-indol-1-yl)-acetic acid: 2-(3-formyl-2-methylindol-1-yl)acetic acid. |
| Q: What is the SMILES notation of (3-Formyl-2-methyl-indol-1-yl)-acetic acid? |
| A: SMILES notation of (3-Formyl-2-methyl-indol-1-yl)-acetic acid is Cc1c(C=O)c2ccccc2n1CC(=O)O. |
| Q: What is the molecular formula of (3-Formyl-2-methyl-indol-1-yl)-acetic acid? |
| A: Molecular formula of (3-Formyl-2-methyl-indol-1-yl)-acetic acid is C12H11NO3. |
| Q: What is the English name of (3-Formyl-2-methyl-indol-1-yl)-acetic acid? |
| A: The English name of (3-Formyl-2-methyl-indol-1-yl)-acetic acid is (3-Formyl-2-methyl-indol-1-yl)-acetic acid. |
| Q: What is the InChIKey of (3-Formyl-2-methyl-indol-1-yl)-acetic acid? |
| A: InChIKey of (3-Formyl-2-methyl-indol-1-yl)-acetic acid is SPDRKMLFDFIREG-UHFFFAOYSA-N. |
| Q: What is the LogP of (3-Formyl-2-methyl-indol-1-yl)-acetic acid? |
| A: LogP of (3-Formyl-2-methyl-indol-1-yl)-acetic acid is 1.84680. |
| Q: What is the boiling point of (3-Formyl-2-methyl-indol-1-yl)-acetic acid? |
| A: Boiling point of (3-Formyl-2-methyl-indol-1-yl)-acetic acid is 465.2ºC at 760 mmHg. |
| Q: What is the CAS number of (3-Formyl-2-methyl-indol-1-yl)-acetic acid? |
| A: CAS number of (3-Formyl-2-methyl-indol-1-yl)-acetic acid is 432001-45-1. |
| Q: What are the upstream materials of (3-Formyl-2-methyl-indol-1-yl)-acetic acid? |
| A: Related upstream materials(CAS) of (3-Formyl-2-methyl-indol-1-yl)-acetic acid: 95-20-5;5416-80-8;433307-59-6. |
| Q: What is the polar surface area (PSA) of (3-Formyl-2-methyl-indol-1-yl)-acetic acid? |
| A: Polar surface area (PSA) of (3-Formyl-2-methyl-indol-1-yl)-acetic acid is 59.30000. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |