2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid
TL;DR: 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid (CAS 706766-79-2) is a chemical compound with molecular formula C8H6N2O4S2 and molecular weight 257.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,1,3-benzothiadiazol-4-ylsulfonyl)acetic acid
Also Known As: 2-(2,1,3-benzothiadiazole-4-sulfonyl)acetic acid, 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)acetic acid, (2,1,3-benzothiadiazol-4-ylsulfonyl)acetic acid, 2-(2,1,3-benzothiadiazole-4-sulfonyl)aceticacid, (2,1,3-BENZOTHIADIAZOLE-4-SULFONYL)ACETIC ACID
| Molecular Formula | C8H6N2O4S2 |
|---|---|
| Molecular Weight | 257.98 g/mol |
| LogP | 0.5496 |
| Topological Polar Surface Area | 97.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.9769 |
| Heavy Atoms | 16 |
| Complexity | 646.857 |
Chemical Identifiers
| CAS Number | 706766-79-2 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)S(=O)(=O)CC(=O)O |
Product Overview
2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid (CAS 706766-79-2), with molecular formula C8H6N2O4S2 and molecular weight 257.98 g/mol. IUPAC: 2-(2,1,3-benzothiadiazol-4-ylsulfonyl)acetic acid.
Chemical Property Profile of 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid
Property Insights of 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid
The XLogP value of 0.5496 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid. The TPSA of 97.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid. Following Lipinski's Rule of Five, 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid has 1 hydrogen bond donor(s) and 6 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-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid?
The CAS number of 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid is 706766-79-2.
What is the molecular formula of 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid?
The molecular formula of 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid is C8H6N2O4S2.
What is the molecular weight of 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid?
The molecular weight of 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid is 257.98 g/mol.
Where can I buy 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid?
You can request a quote for 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,1,3-Benzothiadiazole-4-sulfonyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.