Desfluoro Bicalutamide
Desfluoro Bicalutamide structure
|
Common Name | Desfluoro Bicalutamide | ||
|---|---|---|---|---|
| CAS Number | 90357-05-4 | Molecular Weight | 412.383 | |
| Density | 1.5±0.1 g/cm3 | Boiling Point | 656.1±55.0 °C at 760 mmHg | |
| Molecular Formula | C18H15F3N2O4S | Melting Point | N/A | |
| MSDS | N/A | Flash Point | 350.6±31.5 °C | |
This table lists Chinese names, IUPAC names and various aliases of this chemical substance.
| Name | 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide |
|---|---|
| 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 | 1.5±0.1 g/cm3 |
|---|---|
| Boiling Point | 656.1±55.0 °C at 760 mmHg |
| Molecular Formula | C18H15F3N2O4S |
| Molecular Weight | 412.383 |
| Flash Point | 350.6±31.5 °C |
| Exact Mass | 412.070465 |
| PSA | 119.13000 |
| LogP | 4.63 |
| Vapour Pressure | 0.0±2.1 mmHg at 25°C |
| Index of Refraction | 1.588 |
| InChIKey | GDXNOJUTJPBYEC-UHFFFAOYSA-N |
| SMILES | CC(O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1 |
This table presents publicly reported synthetic routes, reaction conditions, reactants and product information of the compound.
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Desfluoro Bical... CAS#:90357-05-4 |
| Literature: Journal of Medicinal Chemistry, , vol. 31, # 5 p. 954 - 959 |
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Desfluoro Bical... CAS#:90357-05-4 |
| Literature: Journal of Medicinal Chemistry, , vol. 31, # 5 p. 954 - 959 |
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~%
Desfluoro Bical... CAS#:90357-05-4 |
| Literature: Journal of Medicinal Chemistry, , vol. 31, # 5 p. 954 - 959 |
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~%
Desfluoro Bical... CAS#:90357-05-4 |
| Literature: Journal of Medicinal Chemistry, , vol. 31, # 5 p. 954 - 959 |
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~%
Desfluoro Bical... CAS#:90357-05-4 |
| Literature: Journal of Medicinal Chemistry, , vol. 31, # 5 p. 954 - 959 |
This table lists upstream starting materials and downstream derivative products related to this chemical.
| Precursor 4 | |
|---|---|
| DownStream 0 | |
This table contains target information, in‑vitro & in‑vivo assay data for this compound.
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Name: Agonist activity indicated by a statistically significant increase in ventral prostat...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL796442
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Name: Effective dose required to inhibit 50 percent of androgen hormone activity in intact ...
Source: ChEMBL
Target: Rattus norvegicus
External Id: CHEMBL781245
|
This table collects all English aliases, systematic names and CAS‑related synonyms of the compound.
| UNII-15LQ88H10F |
| N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(phenylsulfonyl)propanamide |
| Desfluoro Bicalutamide |
| UNII:15LQ88H10F |
| Bicalutamide Impurity 3 |
This section contains frequently‑asked‑questions about this compound, including basic parameters, properties, storage conditions and corresponding answers.
| Q: What is the SMILES notation of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide? |
| A: SMILES notation of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide is CC(O)(CS(=O)(=O)c1ccccc1)C(=O)Nc1ccc(C#N)c(C(F)(F)F)c1. |
| Q: What is the English name of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide? |
| A: The English name of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide is 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide. |
| Q: What are the upstream materials of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide? |
| A: Related upstream materials(CAS) of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide: 5042-53-5;90357-22-5;108-98-5;112988-42-8. |
| Q: What is the molecular formula of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide? |
| A: Molecular formula of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide is C18H15F3N2O4S. |
| Q: What is the polar surface area (PSA) of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide? |
| A: Polar surface area (PSA) of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide is 119.13000. |
| Q: What English synonyms does 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide have? |
| A: English synonyms of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide: UNII-15LQ88H10F, N-[4-Cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methyl-3-(phenylsulfonyl)propanamide, Desfluoro Bicalutamide, UNII:15LQ88H10F, Bicalutamide Impurity 3. |
| Q: What is the CAS number of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide? |
| A: CAS number of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide is 90357-05-4. |
| Q: What is the boiling point of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide? |
| A: Boiling point of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide is 656.1±55.0 °C at 760 mmHg. |
| Q: What is the InChIKey of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide? |
| A: InChIKey of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide is GDXNOJUTJPBYEC-UHFFFAOYSA-N. |
| Q: What is the molecular weight of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide? |
| A: Molecular weight of 3-(benzenesulfonyl)-N-[4-cyano-3-(trifluoromethyl)phenyl]-2-hydroxy-2-methylpropanamide is 412.383. |
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. |