Doxefazepam
TL;DR: Doxefazepam (CAS 40762-15-0) is a chemical compound with molecular formula C17H14ClFN2O3 and molecular weight 348.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-one
Also Known As: Doxefazepam, Doxans, Doxefazepamum, Doxefazepam [INN], Doxefazepam (INN)
| Molecular Formula | C17H14ClFN2O3 |
|---|---|
| Molecular Weight | 348.07 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 348.0677 |
| Heavy Atoms | 24 |
| Complexity | 504.0 |
Chemical Identifiers
| CAS Number | 40762-15-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=NC(C(=O)N(C3=C2C=C(C=C3)Cl)CCO)O)F |
| InChIKey | VOJLELRQLPENHL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Doxefazepam (CAS 40762-15-0), with molecular formula C17H14ClFN2O3 and molecular weight 348.07 g/mol. IUPAC: 7-chloro-5-(2-fluorophenyl)-3-hydroxy-1-(2-hydroxyethyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of Doxefazepam
Property Insights of Doxefazepam
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Doxefazepam. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Doxefazepam. Following Lipinski's Rule of Five, Doxefazepam 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 Doxefazepam?
The CAS number of Doxefazepam is 40762-15-0.
What is the molecular formula of Doxefazepam?
The molecular formula of Doxefazepam is C17H14ClFN2O3.
What is the molecular weight of Doxefazepam?
The molecular weight of Doxefazepam is 348.07 g/mol.
Where can I buy Doxefazepam?
You can request a quote for Doxefazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Doxefazepam?
Yes, KEHONG BIO provides custom synthesis services for Doxefazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.