Bencisteine
TL;DR: Bencisteine (CAS 36718-65-7) is a chemical compound with molecular formula C15H19NO4S and molecular weight 309.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R)-2-acetamido-3-(2-methyl-3-oxo-3-phenylpropyl)sulfanylpropanoic acid
Also Known As: Bencisteine, Bencisteina, Bencisteinum, Bencisteine [INN:DCF], BENCISTEINE [INN]
| Molecular Formula | C15H19NO4S |
|---|---|
| Molecular Weight | 309.10 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 109.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 309.1035 |
| Heavy Atoms | 21 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 36718-65-7 |
|---|---|
| SMILES | CC(CSC[C@@H](C(=O)O)NC(=O)C)C(=O)C1=CC=CC=C1 |
| InChIKey | FXPSJTKESYQXLX-HQVZTVAUSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bencisteine (CAS 36718-65-7), with molecular formula C15H19NO4S and molecular weight 309.10 g/mol. IUPAC: (2R)-2-acetamido-3-(2-methyl-3-oxo-3-phenylpropyl)sulfanylpropanoic acid.
Chemical Property Profile of Bencisteine
Property Insights of Bencisteine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bencisteine. The TPSA of 109.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bencisteine. Following Lipinski's Rule of Five, Bencisteine has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bencisteine?
The CAS number of Bencisteine is 36718-65-7.
What is the molecular formula of Bencisteine?
The molecular formula of Bencisteine is C15H19NO4S.
What is the molecular weight of Bencisteine?
The molecular weight of Bencisteine is 309.10 g/mol.
Where can I buy Bencisteine?
You can request a quote for Bencisteine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bencisteine?
Yes, KEHONG BIO provides custom synthesis services for Bencisteine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.