4-(3,4-Dimethylbenzenesulfonamido)butanoic acid
TL;DR: 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid (CAS 857041-67-9) is a chemical compound with molecular formula C12H17NO4S and molecular weight 271.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(3,4-dimethylphenyl)sulfonylamino]butanoic acid
Also Known As: 4-(3,4-dimethylbenzenesulfonamido)butanoic acid, 4-[(3,4-dimethylphenyl)sulfonylamino]butanoic Acid, 4-{[(3,4-dimethylphenyl)sulfonyl]amino}butanoic acid, 4-(3,4-dimethylbenzenesulfonamido)butanoicacid, 4-([(3,4-Dimethylphenyl)sulfonyl]amino)butanoic acid
| Molecular Formula | C12H17NO4S |
|---|---|
| Molecular Weight | 271.09 g/mol |
| LogP | 1.44654 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 271.08783 |
| Heavy Atoms | 18 |
| Complexity | 537.0084 |
Chemical Identifiers
| CAS Number | 857041-67-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NCCCC(=O)O)C |
Product Overview
4-(3,4-Dimethylbenzenesulfonamido)butanoic acid (CAS 857041-67-9), with molecular formula C12H17NO4S and molecular weight 271.09 g/mol. IUPAC: 4-[(3,4-dimethylphenyl)sulfonylamino]butanoic acid.
Chemical Property Profile of 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid
Property Insights of 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid
The XLogP value of 1.44654 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid. Following Lipinski's Rule of Five, 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid has 2 hydrogen bond donor(s) and 3 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-(3,4-Dimethylbenzenesulfonamido)butanoic acid?
The CAS number of 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid is 857041-67-9.
What is the molecular formula of 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid?
The molecular formula of 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid is C12H17NO4S.
What is the molecular weight of 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid?
The molecular weight of 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid is 271.09 g/mol.
Where can I buy 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid?
You can request a quote for 4-(3,4-Dimethylbenzenesulfonamido)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-(3,4-Dimethylbenzenesulfonamido)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(3,4-Dimethylbenzenesulfonamido)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.