2-(2,1,3-Benzothiadiazol-4-yl)acetic acid
TL;DR: 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid (CAS 42816-77-3) 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.
2-(2,1,3-benzothiadiazol-4-yl)acetic acid
Also Known As: 2-(2,1,3-benzothiadiazol-4-yl)acetic acid, 2,1,3-Benzothiadiazole-4-acetic acid, 2,1,3-benzothiadiazol-4-ylacetic acid, 2-(2,1,3-benzothiadiazol-4-yl)aceticacid, 2-benzo[c]1,2,5-thiadiazol-4-ylacetic acid
| Molecular Formula | C8H6N2O2S |
|---|---|
| Molecular Weight | 194.01 g/mol |
| LogP | 1.3184 |
| Topological Polar Surface Area | 63.08 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 194.015 |
| Heavy Atoms | 13 |
| Complexity | 452.09567 |
Chemical Identifiers
| CAS Number | 42816-77-3 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)CC(=O)O |
Product Overview
2-(2,1,3-Benzothiadiazol-4-yl)acetic acid (CAS 42816-77-3), with molecular formula C8H6N2O2S and molecular weight 194.01 g/mol. IUPAC: 2-(2,1,3-benzothiadiazol-4-yl)acetic acid.
Chemical Property Profile of 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid
Property Insights of 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid
The XLogP value of 1.3184 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid. The TPSA of 63.08 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid. Following Lipinski's Rule of Five, 2-(2,1,3-Benzothiadiazol-4-yl)acetic 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-(2,1,3-Benzothiadiazol-4-yl)acetic acid?
The CAS number of 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid is 42816-77-3.
What is the molecular formula of 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid?
The molecular formula of 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid is C8H6N2O2S.
What is the molecular weight of 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid?
The molecular weight of 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid is 194.01 g/mol.
Where can I buy 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid?
You can request a quote for 2-(2,1,3-Benzothiadiazol-4-yl)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-Benzothiadiazol-4-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,1,3-Benzothiadiazol-4-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.