氯美扎酮
TL;DR: 氯美扎酮 (CAS 80-77-3) is a chemical compound with molecular formula C11H12ClNO3S and molecular weight 273.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
氯美扎酮
2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one
Also Known As: chlormezanone, Chlormethazanone, Trancopal, Chlormethazone, Clormetazanone
| Molecular Formula | C11H12ClNO3S |
|---|---|
| Molecular Weight | 273.02 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 62.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 273.02264 |
| Heavy Atoms | 17 |
| Complexity | 395.0 |
| Melting Point | 116.2-118.6 |
| Solubility | 2500 |
Chemical Identifiers
| CAS Number | 80-77-3 |
|---|---|
| SMILES | CN1C(S(=O)(=O)CCC1=O)C2=CC=C(C=C2)Cl |
| InChIKey | WEQAYVWKMWHEJO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
氯美扎酮 (CAS 80-77-3), with molecular formula C11H12ClNO3S and molecular weight 273.02 g/mol. IUPAC: 2-(4-chlorophenyl)-3-methyl-1,1-dioxo-1,3-thiazinan-4-one.
Chemical Property Profile of 氯美扎酮
Property Insights of 氯美扎酮
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 氯美扎酮. The TPSA of 62.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 氯美扎酮. Following Lipinski's Rule of Five, 氯美扎酮 has 0 hydrogen bond donor(s) and 3 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 氯美扎酮?
The CAS number of 氯美扎酮 is 80-77-3.
What is the molecular formula of 氯美扎酮?
The molecular formula of 氯美扎酮 is C11H12ClNO3S.
What is the molecular weight of 氯美扎酮?
The molecular weight of 氯美扎酮 is 273.02 g/mol.
Where can I buy 氯美扎酮?
You can request a quote for 氯美扎酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 氯美扎酮?
Yes, KEHONG BIO provides custom synthesis services for 氯美扎酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.