2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid
TL;DR: 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid (CAS 1009235-36-2) is a chemical compound with molecular formula C13H19NO4S and molecular weight 285.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid
Also Known As: 2-(3,4-dimethylbenzenesulfonamido)-3-methylbutanoic acid, 2-{[(3,4-dimethylphenyl)sulfonyl]amino}-3-methylbutanoic acid, 2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid, 2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoic Acid, 2-(3,4-dimethylbenzenesulfonamido)-3-methylbutanoicacid
| Molecular Formula | C13H19NO4S |
|---|---|
| Molecular Weight | 285.10 g/mol |
| LogP | 1.69094 |
| Topological Polar Surface Area | 83.47 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 285.1035 |
| Heavy Atoms | 19 |
| Complexity | 578.306 |
Chemical Identifiers
| CAS Number | 1009235-36-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)NC(C(C)C)C(=O)O)C |
Product Overview
2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid (CAS 1009235-36-2), with molecular formula C13H19NO4S and molecular weight 285.10 g/mol. IUPAC: 2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid.
Chemical Property Profile of 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid
Property Insights of 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid
The XLogP value of 1.69094 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid. The TPSA of 83.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid. Following Lipinski's Rule of Five, 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic 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 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid?
The CAS number of 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid is 1009235-36-2.
What is the molecular formula of 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid?
The molecular formula of 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid is C13H19NO4S.
What is the molecular weight of 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid?
The molecular weight of 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid is 285.10 g/mol.
Where can I buy 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid?
You can request a quote for 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethylbenzenesulfonamido)-3-methylbutanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.