Benazolin
TL;DR: Benazolin (CAS 3813-05-6) is a chemical compound with molecular formula C9H6ClNO3S and molecular weight 242.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid
Also Known As: BENAZOLIN, Metizolin, Eunasin, Benazoline, Herbazolin
| Molecular Formula | C9H6ClNO3S |
|---|---|
| Molecular Weight | 242.98 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 82.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 242.9757 |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 3813-05-6 |
|---|---|
| SMILES | C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O |
| InChIKey | HYJSGOXICXYZGS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benazolin (CAS 3813-05-6), with molecular formula C9H6ClNO3S and molecular weight 242.98 g/mol. IUPAC: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid.
Chemical Property Profile of Benazolin
Property Insights of Benazolin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benazolin. The TPSA of 82.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benazolin. Following Lipinski's Rule of Five, Benazolin 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 Benazolin?
The CAS number of Benazolin is 3813-05-6.
What is the molecular formula of Benazolin?
The molecular formula of Benazolin is C9H6ClNO3S.
What is the molecular weight of Benazolin?
The molecular weight of Benazolin is 242.98 g/mol.
Where can I buy Benazolin?
You can request a quote for Benazolin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benazolin?
Yes, KEHONG BIO provides custom synthesis services for Benazolin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.