N-[3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]carbamic acid phenylmethyl ester
![N-[3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]carbamic acid phenylmethyl ester Structure](https://image.chemsrc.com/caspic/351/1220910-89-3.png)
N-[3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]carbamic acid phenylmethyl ester structure
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Common Name | N-[3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]carbamic acid phenylmethyl ester | ||
|---|---|---|---|---|
| CAS Number | 1220910-89-3 | Molecular Weight | 404.39700 | |
| Density | N/A | Boiling Point | N/A | |
| Molecular Formula | C21H17FN6O2 | Melting Point | N/A | |
| MSDS | N/A | Flash Point | N/A | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate |
|---|---|
| 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.
| Molecular Formula | C21H17FN6O2 |
|---|---|
| Molecular Weight | 404.39700 |
| Exact Mass | 404.14000 |
| PSA | 98.31000 |
| LogP | 3.84050 |
| InChIKey | GIBJIBYBOVNDET-UHFFFAOYSA-N |
| SMILES | Cn1nnc(-c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3F)cn2)n1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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~87%
N-[3-Fluoro-4-[... CAS#:1220910-89-3 |
| Literature: TRIUS THERAPEUTICS; COSTELLO, Carrie, A.; SIMSON, Jaqueline, A.; DUGUID, Robert, J.; PHILLIPSON, Douglas Patent: WO2010/42887 A2, 2010 ; Location in patent: Page/Page column 18-19 ; |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 2 | |
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| DownStream 1 | |
CAS#:856866-72-3This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| (S)-BENZYL 3-AMINOBUTYLCARBAMATE |
| benzyl (3S)-3-aminobutylcarbamate |
| (S)-1-CBZ-AMINO-BUTYL-3-AMINE |
| benzyl (4-(2-(2-methyltetrazol-5-yl)pyridin-5-yl)-3-fluorophenyl)carbamate |
| S-1-N-CBZ-butane-1,3-diamine |
| N-[3-Fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phenyl]carbamic acid phenylmethyl ester |
| n-(3-fluoro-4-(6-(2-methyl-2h-tetrazol-5-yl)-3-pyridinyl)phenyl)carbamic acid phenylmethyl ester |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the English name of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate? |
| A: The English name of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate is Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate. |
| Q: What is the InChIKey of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate? |
| A: InChIKey of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate is GIBJIBYBOVNDET-UHFFFAOYSA-N. |
| Q: What is the LogP of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate? |
| A: LogP of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate is 3.84050. |
| Q: What is the CAS number of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate? |
| A: CAS number of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate is 1220910-89-3. |
| Q: What is the molecular formula of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate? |
| A: Molecular formula of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate is C21H17FN6O2. |
| Q: What are the downstream products of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate? |
| A: Related downstream products(CAS) of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate: 856866-72-3. |
| Q: What is the SMILES notation of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate? |
| A: SMILES notation of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate is Cn1nnc(-c2ccc(-c3ccc(NC(=O)OCc4ccccc4)cc3F)cn2)n1. |
| Q: What is the polar surface area (PSA) of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate? |
| A: Polar surface area (PSA) of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate is 98.31000. |
| Q: What are the upstream materials of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate? |
| A: Related upstream materials(CAS) of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate: 874290-59-2;380380-64-3. |
| Q: What is the molecular weight of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate? |
| A: Molecular weight of Benzyl {3-fluoro-4-[6-(2-methyl-2H-tetrazol-5-yl)-3-pyridinyl]phe nyl}carbamate is 404.39700. |
This table lists manufacturers and suppliers of this compound, including vendor names and product supply reference information.
| Shanghai Nianxing Industrial Co., Ltd |
| Henan Tianfu Chemical Co., Ltd. |