Chlobenthiazone
TL;DR: Chlobenthiazone (CAS 63755-05-5) is a chemical compound with molecular formula C8H6ClNOS and molecular weight 198.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-methyl-1,3-benzothiazol-2-one
Also Known As: Chlobenthiazone, Chlobenthiazone [ISO], 4-Chloro-3-methylbenzo[d]thiazol-2(3H)-one, 4-Chloro-3-methyl-2(3H)-benzothiazolone, 2(3H)-Benzothiazolone, 4-chloro-3-methyl-
| Molecular Formula | C8H6ClNOS |
|---|---|
| Molecular Weight | 198.99 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 45.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 198.98586 |
| Heavy Atoms | 12 |
| Complexity | 211.0 |
Chemical Identifiers
| CAS Number | 63755-05-5 |
|---|---|
| SMILES | CN1C2=C(C=CC=C2Cl)SC1=O |
| InChIKey | QCPASDYEQAVIJF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlobenthiazone (CAS 63755-05-5), with molecular formula C8H6ClNOS and molecular weight 198.99 g/mol. IUPAC: 4-chloro-3-methyl-1,3-benzothiazol-2-one.
Chemical Property Profile of Chlobenthiazone
Property Insights of Chlobenthiazone
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chlobenthiazone. With a topological polar surface area (TPSA) of 45.6 Ų, Chlobenthiazone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlobenthiazone has 0 hydrogen bond donor(s) and 2 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 Chlobenthiazone?
The CAS number of Chlobenthiazone is 63755-05-5.
What is the molecular formula of Chlobenthiazone?
The molecular formula of Chlobenthiazone is C8H6ClNOS.
What is the molecular weight of Chlobenthiazone?
The molecular weight of Chlobenthiazone is 198.99 g/mol.
Where can I buy Chlobenthiazone?
You can request a quote for Chlobenthiazone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlobenthiazone?
Yes, KEHONG BIO provides custom synthesis services for Chlobenthiazone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.