依法西泮
TL;DR: 依法西泮 (CAS 52042-01-0) is a chemical compound with molecular formula C19H18ClFN2O3S and molecular weight 408.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
依法西泮
7-chloro-1-(2-ethylsulfonylethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one
Also Known As: Elfazepam, Elfazepamum, Elfazepam [USAN:INN], Elfazepamum [INN-Latin], SK&F 72517
| Molecular Formula | C19H18ClFN2O3S |
|---|---|
| Molecular Weight | 408.07 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 408.07108 |
| Heavy Atoms | 27 |
| Complexity | 679.0 |
Chemical Identifiers
| CAS Number | 52042-01-0 |
|---|---|
| SMILES | CCS(=O)(=O)CCN1C(=O)CN=C(C2=C1C=CC(=C2)Cl)C3=CC=CC=C3F |
| InChIKey | BSPSXMXQKZZNFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
依法西泮 (CAS 52042-01-0), with molecular formula C19H18ClFN2O3S and molecular weight 408.07 g/mol. IUPAC: 7-chloro-1-(2-ethylsulfonylethyl)-5-(2-fluorophenyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 依法西泮
Property Insights of 依法西泮
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 依法西泮. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 依法西泮. Following Lipinski's Rule of Five, 依法西泮 has 0 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 依法西泮?
The CAS number of 依法西泮 is 52042-01-0.
What is the molecular formula of 依法西泮?
The molecular formula of 依法西泮 is C19H18ClFN2O3S.
What is the molecular weight of 依法西泮?
The molecular weight of 依法西泮 is 408.07 g/mol.
Where can I buy 依法西泮?
You can request a quote for 依法西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 依法西泮?
Yes, KEHONG BIO provides custom synthesis services for 依法西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.