1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester
TL;DR: 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester (CAS 23621-08-1) is a chemical compound with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 1,2,3-benzothiadiazole-7-carboxylate
Also Known As: methyl 1,2,3-benzothiadiazole-7-carboxylate, 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester, Methyl1,2,3-benzothiadiazole-7-carboxylate, 7-methoxycarbonylbenzo-1,2,3-thiadiazole, methyl benzo-1,2,3-thiadiazole-7-carboxylate
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 80.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 23621-08-1 |
|---|---|
| SMILES | COC(=O)C1=C2C(=CC=C1)N=NS2 |
| InChIKey | CUIIHNPMMCYAMK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester (CAS 23621-08-1), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: methyl 1,2,3-benzothiadiazole-7-carboxylate.
Chemical Property Profile of 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester
Property Insights of 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester. The TPSA of 80.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester. Following Lipinski's Rule of Five, 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester has 0 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 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester?
The CAS number of 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester is 23621-08-1.
What is the molecular formula of 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester?
The molecular formula of 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester is C8H6N2O2S.
What is the molecular weight of 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester?
The molecular weight of 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester is 194.01 g/mol.
Where can I buy 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester?
You can request a quote for 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzothiadiazole-7-carboxylic acid, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.