Benazolin-dimethylammonium
TL;DR: Benazolin-dimethylammonium (CAS 4927-43-9) is a chemical compound with molecular formula C11H13ClN2O3S and molecular weight 288.03 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;N-methylmethanamine
Also Known As: Benazolin-dimethylammonium, Benazolin-dimethylammonium [ISO], Benazolin dimethylamine salt, 3(2H)-Benzothiazoleacetic acid, 4-chloro-2-oxo-, compd. with N-methylmethanamine (1:1), 4-Chloro-2-oxo-2H-benzothiazole-3-acetic acid, compound with dimethylamine (1:1)
| Molecular Formula | C11H13ClN2O3S |
|---|---|
| Molecular Weight | 288.03 g/mol |
| LogP | 1.6366 |
| Topological Polar Surface Area | 94.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 288.03354 |
| Heavy Atoms | 18 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 4927-43-9 |
|---|---|
| SMILES | CNC.C1=CC2=C(C(=C1)Cl)N(C(=O)S2)CC(=O)O |
| InChIKey | KKTYYONKWVCNJI-UHFFFAOYSA-N |
Product Overview
Benazolin-dimethylammonium (CAS 4927-43-9), with molecular formula C11H13ClN2O3S and molecular weight 288.03 g/mol. IUPAC: 2-(4-chloro-2-oxo-1,3-benzothiazol-3-yl)acetic acid;N-methylmethanamine.
Chemical Property Profile of Benazolin-dimethylammonium
Property Insights of Benazolin-dimethylammonium
The XLogP value of 1.6366 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benazolin-dimethylammonium. The TPSA of 94.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benazolin-dimethylammonium. Following Lipinski's Rule of Five, Benazolin-dimethylammonium has 2 hydrogen bond donor(s) and 5 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-dimethylammonium?
The CAS number of Benazolin-dimethylammonium is 4927-43-9.
What is the molecular formula of Benazolin-dimethylammonium?
The molecular formula of Benazolin-dimethylammonium is C11H13ClN2O3S.
What is the molecular weight of Benazolin-dimethylammonium?
The molecular weight of Benazolin-dimethylammonium is 288.03 g/mol.
Where can I buy Benazolin-dimethylammonium?
You can request a quote for Benazolin-dimethylammonium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benazolin-dimethylammonium?
Yes, KEHONG BIO provides custom synthesis services for Benazolin-dimethylammonium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.