2-Oxoquazepam
TL;DR: 2-Oxoquazepam (CAS 49606-44-2) is a chemical compound with molecular formula C17H11ClF4N2O and molecular weight 370.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one
Also Known As: 2-Oxoquazepam, OXOQUAZEPAM, 2-Desthio-2-oxo Selapam, nchembio747-comp34, Sch 15725
| Molecular Formula | C17H11ClF4N2O |
|---|---|
| Molecular Weight | 370.05 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 370.0496 |
| Heavy Atoms | 25 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 49606-44-2 |
|---|---|
| SMILES | C1C(=O)N(C2=C(C=C(C=C2)Cl)C(=N1)C3=CC=CC=C3F)CC(F)(F)F |
| InChIKey | YFSXBSRGIRSXAD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Oxoquazepam (CAS 49606-44-2), with molecular formula C17H11ClF4N2O and molecular weight 370.05 g/mol. IUPAC: 7-chloro-5-(2-fluorophenyl)-1-(2,2,2-trifluoroethyl)-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 2-Oxoquazepam
Property Insights of 2-Oxoquazepam
The XLogP value of 3.4 indicates that 2-Oxoquazepam is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.7 Ų, 2-Oxoquazepam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Oxoquazepam 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 2-Oxoquazepam?
The CAS number of 2-Oxoquazepam is 49606-44-2.
What is the molecular formula of 2-Oxoquazepam?
The molecular formula of 2-Oxoquazepam is C17H11ClF4N2O.
What is the molecular weight of 2-Oxoquazepam?
The molecular weight of 2-Oxoquazepam is 370.05 g/mol.
Where can I buy 2-Oxoquazepam?
You can request a quote for 2-Oxoquazepam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Oxoquazepam?
Yes, KEHONG BIO provides custom synthesis services for 2-Oxoquazepam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.