2,1,3-Benzothiadiazole-5-carboxylic acid
TL;DR: 2,1,3-Benzothiadiazole-5-carboxylic acid (CAS 16405-98-4) is a chemical compound with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,1,3-benzothiadiazole-5-carboxylic acid
Also Known As: 2,1,3-Benzothiadiazole-5-carboxylic acid, Benzo[c][1,2,5]thiadiazole-5-carboxylic acid, 4ddm, 5-Oxo-L-Prolamide, TimTec1_002664
| Molecular Formula | C7H4N2O2S |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 91.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.99934 |
| Heavy Atoms | 12 |
| Complexity | 200.0 |
Chemical Identifiers
| CAS Number | 16405-98-4 |
|---|---|
| SMILES | C1=CC2=NSN=C2C=C1C(=O)O |
| InChIKey | YHMXJZVGBCACMT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,1,3-Benzothiadiazole-5-carboxylic acid (CAS 16405-98-4), with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol. IUPAC: 2,1,3-benzothiadiazole-5-carboxylic acid.
Chemical Property Profile of 2,1,3-Benzothiadiazole-5-carboxylic acid
Property Insights of 2,1,3-Benzothiadiazole-5-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothiadiazole-5-carboxylic acid. The TPSA of 91.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzothiadiazole-5-carboxylic acid. Following Lipinski's Rule of Five, 2,1,3-Benzothiadiazole-5-carboxylic acid has 1 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 2,1,3-Benzothiadiazole-5-carboxylic acid?
The CAS number of 2,1,3-Benzothiadiazole-5-carboxylic acid is 16405-98-4.
What is the molecular formula of 2,1,3-Benzothiadiazole-5-carboxylic acid?
The molecular formula of 2,1,3-Benzothiadiazole-5-carboxylic acid is C7H4N2O2S.
What is the molecular weight of 2,1,3-Benzothiadiazole-5-carboxylic acid?
The molecular weight of 2,1,3-Benzothiadiazole-5-carboxylic acid is 180.00 g/mol.
Where can I buy 2,1,3-Benzothiadiazole-5-carboxylic acid?
You can request a quote for 2,1,3-Benzothiadiazole-5-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,1,3-Benzothiadiazole-5-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothiadiazole-5-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.