环氯唑仑
TL;DR: 环氯唑仑 (CAS 58765-21-2) is a chemical compound with molecular formula C20H18BrClN4S and molecular weight 460.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
环氯唑仑
4-bromo-7-(2-chlorophenyl)-13-cyclohexyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene
Also Known As: Ciclotizolam, Ciclotizolamum, We 973-BS, Ciclotizolam [INN:BAN], Ciclotizolamum [INN-Latin]
| Molecular Formula | C20H18BrClN4S |
|---|---|
| Molecular Weight | 460.01 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 71.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 460.01242 |
| Heavy Atoms | 27 |
| Complexity | 572.0 |
Chemical Identifiers
| CAS Number | 58765-21-2 |
|---|---|
| SMILES | C1CCC(CC1)C2=NN=C3N2C4=C(C=C(S4)Br)C(=NC3)C5=CC=CC=C5Cl |
| InChIKey | ZOSHXIXUCKESEG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
环氯唑仑 (CAS 58765-21-2), with molecular formula C20H18BrClN4S and molecular weight 460.01 g/mol. IUPAC: 4-bromo-7-(2-chlorophenyl)-13-cyclohexyl-3-thia-1,8,11,12-tetrazatricyclo[8.3.0.02,6]trideca-2(6),4,7,10,12-pentaene.
Chemical Property Profile of 环氯唑仑
Property Insights of 环氯唑仑
The XLogP value of 4.6 indicates that 环氯唑仑 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 环氯唑仑. Following Lipinski's Rule of Five, 环氯唑仑 has 0 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 环氯唑仑?
The CAS number of 环氯唑仑 is 58765-21-2.
What is the molecular formula of 环氯唑仑?
The molecular formula of 环氯唑仑 is C20H18BrClN4S.
What is the molecular weight of 环氯唑仑?
The molecular weight of 环氯唑仑 is 460.01 g/mol.
Where can I buy 环氯唑仑?
You can request a quote for 环氯唑仑 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 环氯唑仑?
Yes, KEHONG BIO provides custom synthesis services for 环氯唑仑 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.