2,1,3-Benzothiadiazole-4-carboxylic acid
TL;DR: 2,1,3-Benzothiadiazole-4-carboxylic acid (CAS 118514-40-2) 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-4-carboxylic acid
Also Known As: 2,1,3-benzothiadiazole-4-carboxylic acid, benzo[c][1,2,5]thiadiazole-4-carboxylic acid, 4-carboxybenzo-2,1,3-thiadiazole, SDCCGMLS-0065943.P001, 2,1,3-Benzothiadiazole-2-SIV-4-carboxylicacid
| Molecular Formula | C7H4N2O2S |
|---|---|
| Molecular Weight | 180.00 g/mol |
| LogP | 1.3895 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.99934 |
| Heavy Atoms | 12 |
| Complexity | 437.65393 |
Chemical Identifiers
| CAS Number | 118514-40-2 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)C(=O)O |
Product Overview
2,1,3-Benzothiadiazole-4-carboxylic acid (CAS 118514-40-2), with molecular formula C7H4N2O2S and molecular weight 180.00 g/mol. IUPAC: 2,1,3-benzothiadiazole-4-carboxylic acid.
Chemical Property Profile of 2,1,3-Benzothiadiazole-4-carboxylic acid
Property Insights of 2,1,3-Benzothiadiazole-4-carboxylic acid
The XLogP value of 1.3895 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,1,3-Benzothiadiazole-4-carboxylic acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,1,3-Benzothiadiazole-4-carboxylic acid. Following Lipinski's Rule of Five, 2,1,3-Benzothiadiazole-4-carboxylic acid 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 2,1,3-Benzothiadiazole-4-carboxylic acid?
The CAS number of 2,1,3-Benzothiadiazole-4-carboxylic acid is 118514-40-2.
What is the molecular formula of 2,1,3-Benzothiadiazole-4-carboxylic acid?
The molecular formula of 2,1,3-Benzothiadiazole-4-carboxylic acid is C7H4N2O2S.
What is the molecular weight of 2,1,3-Benzothiadiazole-4-carboxylic acid?
The molecular weight of 2,1,3-Benzothiadiazole-4-carboxylic acid is 180.00 g/mol.
Where can I buy 2,1,3-Benzothiadiazole-4-carboxylic acid?
You can request a quote for 2,1,3-Benzothiadiazole-4-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-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,1,3-Benzothiadiazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.