![4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid structure](/static/products/4052/405279-58-5.webp)
4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid
TL;DR: 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid (CAS 405279-58-5) is a chemical compound with molecular formula C10H11N3O4S2 and molecular weight 301.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoic acid
Also Known As: 4-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]butanoic acid, ChemDiv1_012246, 4-(2,1,3-benzothiadiazole-4-sulfonamido)butanoic acid, BAS 02285617, 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoic acid
| Molecular Formula | C10H11N3O4S2 |
|---|---|
| Molecular Weight | 301.02 g/mol |
| LogP | 0.8344 |
| Topological Polar Surface Area | 109.25 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 301.0191 |
| Heavy Atoms | 19 |
| Complexity | 695.6176 |
Chemical Identifiers
| CAS Number | 405279-58-5 |
|---|---|
| SMILES | C1=CC2=NSN=C2C(=C1)S(=O)(=O)NCCCC(=O)O |
Product Overview
4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid (CAS 405279-58-5), with molecular formula C10H11N3O4S2 and molecular weight 301.02 g/mol. IUPAC: 4-(2,1,3-benzothiadiazol-4-ylsulfonylamino)butanoic acid.
Chemical Property Profile of 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid
Property Insights of 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid
The XLogP value of 0.8344 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid. The TPSA of 109.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid. Following Lipinski's Rule of Five, 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic 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 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid?
The CAS number of 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid is 405279-58-5.
What is the molecular formula of 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid?
The molecular formula of 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid is C10H11N3O4S2.
What is the molecular weight of 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid?
The molecular weight of 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid is 301.02 g/mol.
Where can I buy 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid?
You can request a quote for 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.