卤噁唑仑
TL;DR: 卤噁唑仑 (CAS 59128-97-1) is a chemical compound with molecular formula C17H14BrFN2O2 and molecular weight 376.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
卤噁唑仑
10-bromo-11b-(2-fluorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one
Also Known As: haloxazolam, Somelin, Haloxazolamum, Somelin (TN), Haloxazolam [INN:JAN]
| Molecular Formula | C17H14BrFN2O2 |
|---|---|
| Molecular Weight | 376.02 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 376.02228 |
| Heavy Atoms | 23 |
| Complexity | 480.0 |
Chemical Identifiers
| CAS Number | 59128-97-1 |
|---|---|
| SMILES | C1COC2(N1CC(=O)NC3=C2C=C(C=C3)Br)C4=CC=CC=C4F |
| InChIKey | XDKCGKQHVBOOHC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
卤噁唑仑 (CAS 59128-97-1), with molecular formula C17H14BrFN2O2 and molecular weight 376.02 g/mol. IUPAC: 10-bromo-11b-(2-fluorophenyl)-2,3,5,7-tetrahydro-[1,3]oxazolo[3,2-d][1,4]benzodiazepin-6-one.
Chemical Property Profile of 卤噁唑仑
Property Insights of 卤噁唑仑
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 卤噁唑仑. With a topological polar surface area (TPSA) of 41.6 Ų, 卤噁唑仑 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 卤𫫇唑仑 has 1 hydrogen bond donor(s) and 4 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 卤𫫇唑仑?
The CAS number of 卤𫫇唑仑 is 59128-97-1.
What is the molecular formula of 卤𫫇唑仑?
The molecular formula of 卤𫫇唑仑 is C17H14BrFN2O2.
What is the molecular weight of 卤𫫇唑仑?
The molecular weight of 卤𫫇唑仑 is 376.02 g/mol.
Where can I buy 卤𫫇唑仑?
You can request a quote for 卤𫫇唑仑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 卤𫫇唑仑?
Yes, KEHONG BIO provides custom synthesis services for 卤𫫇唑仑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.