![2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid structure](/static/products/1396/1396964-23-0.webp)
2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid
TL;DR: 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid (CAS 1396964-23-0) is a chemical compound with molecular formula C11H13N3O4S2 and molecular weight 315.03476 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2,1,3-benzothiadiazol-4-ylsulfonylamino)-3-methylbutanoic acid
Also Known As: DivK1c_002881, CDS1_001841, 2-[(2,1,3-benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid, 2-(2,1,3-benzothiadiazole-4-sulfonamido)-3-methylbutanoic acid, AB00710658-01
Technical Specifications
| Molecular Formula | C11H13N3O4S2 |
| Molecular Weight | 315.03476 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 146.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 315.03476 Da |
| Heavy Atoms | 20 |
| Complexity | 463.0 |
| SMILES | CC(C)C(C(=O)O)NS(=O)(=O)C1=CC=CC2=NSN=C21 |
| InChIKey | GGXQUHCKQXDDGR-UHFFFAOYSA-N |
Chemical Property Profile of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid
Property Insights of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid. The TPSA of 146.0 Ų indicates high polarity, suggesting 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid?
The CAS number of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid is 1396964-23-0.
What is the molecular formula of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid?
The molecular formula of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid is C11H13N3O4S2.
What is the molecular weight of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid?
The molecular weight of 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid is 315.03476 g/mol.
Where can I buy 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid?
You can request a quote for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid?
Yes, CoreyChem provides custom synthesis services for 2-[(2,1,3-Benzothiadiazol-4-ylsulfonyl)amino]-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.