甲磺西泮
TL;DR: 甲磺西泮 (CAS 86273-92-9) is a chemical compound with molecular formula C24H20Cl2N2O3S and molecular weight 486.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲磺西泮
7-chloro-5-(2-chlorophenyl)-1-[2-(4-methylphenyl)sulfonylethyl]-3H-1,4-benzodiazepin-2-one
Also Known As: Tolufazepam, Tolufazepamum, Inn Tolufazepam, Tolufazepam [INN], Tolufazepamum [Latin]
| Molecular Formula | C24H20Cl2N2O3S |
|---|---|
| Molecular Weight | 486.06 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 75.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.05716 |
| Heavy Atoms | 32 |
| Complexity | 805.0 |
Chemical Identifiers
| CAS Number | 86273-92-9 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CCN2C(=O)CN=C(C3=C2C=CC(=C3)Cl)C4=CC=CC=C4Cl |
| InChIKey | FFZOBTGTWSRRMB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲磺西泮 (CAS 86273-92-9), with molecular formula C24H20Cl2N2O3S and molecular weight 486.06 g/mol. IUPAC: 7-chloro-5-(2-chlorophenyl)-1-[2-(4-methylphenyl)sulfonylethyl]-3H-1,4-benzodiazepin-2-one.
Chemical Property Profile of 甲磺西泮
Property Insights of 甲磺西泮
The XLogP value of 4.6 indicates that 甲磺西泮 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲磺西泮. Following Lipinski's Rule of Five, 甲磺西泮 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 甲磺西泮?
The CAS number of 甲磺西泮 is 86273-92-9.
What is the molecular formula of 甲磺西泮?
The molecular formula of 甲磺西泮 is C24H20Cl2N2O3S.
What is the molecular weight of 甲磺西泮?
The molecular weight of 甲磺西泮 is 486.06 g/mol.
Where can I buy 甲磺西泮?
You can request a quote for 甲磺西泮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲磺西泮?
Yes, KEHONG BIO provides custom synthesis services for 甲磺西泮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.