![2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid structure](/static/products/1396/1396965-06-2.webp)
2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid
TL;DR: 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid (CAS 1396965-06-2) is a chemical compound with molecular formula C15H13N3O4S2 and molecular weight 363.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoic acid
Also Known As: 2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid, 2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-phenylpropanoic acid, 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoic acid, 2-(Benzo[c][1,2,5]thiadiazole-4-sulfonamido)-3-phenylpropanoic acid, 7-{[(1-carboxy-2-phenylethyl)amino]sulfonyl}-2,1,3-benzothiadiazol
| Molecular Formula | C15H13N3O4S2 |
|---|---|
| Molecular Weight | 363.03 g/mol |
| LogP | 1.6655 |
| Topological Polar Surface Area | 109.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 363.03476 |
| Heavy Atoms | 24 |
| Complexity | 970.56256 |
Chemical Identifiers
| CAS Number | 1396965-06-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC(C(=O)O)NS(=O)(=O)C2=CC=CC3=NSN=C32 |
Product Overview
2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid (CAS 1396965-06-2), with molecular formula C15H13N3O4S2 and molecular weight 363.03 g/mol. IUPAC: 2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-phenylpropanoic acid.
Chemical Property Profile of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid
Property Insights of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid
The XLogP value of 1.6655 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid. The TPSA of 109.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid. Following Lipinski's Rule of Five, 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid has 2 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-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid?
The CAS number of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid is 1396965-06-2.
What is the molecular formula of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid?
The molecular formula of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid is C15H13N3O4S2.
What is the molecular weight of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid?
The molecular weight of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid is 363.03 g/mol.
Where can I buy 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid?
You can request a quote for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic 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-ylsulfonyl)amino]-3-phenylpropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-phenylpropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.