夸西泮
TL;DR: 夸西泮 (CAS 36735-22-5) is a chemical compound with molecular formula C17H11ClF4N2S and molecular weight 386.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
夸西泮
7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepine-2-thione
Also Known As: quazepam, Doral, Selepam, Dormalin, Prosedar
| Molecular Formula | C17H11ClF4N2S |
|---|---|
| Molecular Weight | 386.03 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 47.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 386.02676 |
| Heavy Atoms | 25 |
| Complexity | 539.0 |
| Melting Point | 137.5-139 °C |
| Solubility | Insoluble |
Chemical Identifiers
| CAS Number | 36735-22-5 |
|---|---|
| SMILES | C1C(=S)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F |
| InChIKey | IKMPWMZBZSAONZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
夸西泮 (CAS 36735-22-5), with molecular formula C17H11ClF4N2S and molecular weight 386.03 g/mol. IUPAC: 7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepine-2-thione.
Chemical Property Profile of 夸西泮
Property Insights of 夸西泮
The XLogP value of 4.0 indicates that 夸西泮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 47.7 Ų, 夸西泮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 夸西泮 has 0 hydrogen bond donor(s) and 6 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 夸西泮?
The CAS number of 夸西泮 is 36735-22-5.
What is the molecular formula of 夸西泮?
The molecular formula of 夸西泮 is C17H11ClF4N2S.
What is the molecular weight of 夸西泮?
The molecular weight of 夸西泮 is 386.03 g/mol.
Where can I buy 夸西泮?
You can request a quote for 夸西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 夸西泮?
Yes, KEHONG BIO provides custom synthesis services for 夸西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.