2-(3,4-Dimethylbenzenesulfonyl)acetic acid
TL;DR: 2-(3,4-Dimethylbenzenesulfonyl)acetic acid (CAS 85654-12-2) is a chemical compound with molecular formula C10H12O4S and molecular weight 228.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3,4-dimethylphenyl)sulfonylacetic acid
Also Known As: 2-(3,4-dimethylbenzenesulfonyl)acetic acid, starbld0024225, 2-(3,4-dimethylphenyl)sulfonylacetic Acid, 2-(3,4-dimethylbenzenesulfonyl)aceticacid, 2-((3,4-Dimethylphenyl)sulfonyl)acetic acid
| Molecular Formula | C10H12O4S |
|---|---|
| Molecular Weight | 228.05 g/mol |
| LogP | 1.16174 |
| Topological Polar Surface Area | 71.44 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 228.04562 |
| Heavy Atoms | 15 |
| Complexity | 488.1439 |
Chemical Identifiers
| CAS Number | 85654-12-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)S(=O)(=O)CC(=O)O)C |
Product Overview
2-(3,4-Dimethylbenzenesulfonyl)acetic acid (CAS 85654-12-2), with molecular formula C10H12O4S and molecular weight 228.05 g/mol. IUPAC: 2-(3,4-dimethylphenyl)sulfonylacetic acid.
Chemical Property Profile of 2-(3,4-Dimethylbenzenesulfonyl)acetic acid
Property Insights of 2-(3,4-Dimethylbenzenesulfonyl)acetic acid
The XLogP value of 1.16174 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(3,4-Dimethylbenzenesulfonyl)acetic acid. The TPSA of 71.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-Dimethylbenzenesulfonyl)acetic acid. Following Lipinski's Rule of Five, 2-(3,4-Dimethylbenzenesulfonyl)acetic acid has 1 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-Dimethylbenzenesulfonyl)acetic acid?
The CAS number of 2-(3,4-Dimethylbenzenesulfonyl)acetic acid is 85654-12-2.
What is the molecular formula of 2-(3,4-Dimethylbenzenesulfonyl)acetic acid?
The molecular formula of 2-(3,4-Dimethylbenzenesulfonyl)acetic acid is C10H12O4S.
What is the molecular weight of 2-(3,4-Dimethylbenzenesulfonyl)acetic acid?
The molecular weight of 2-(3,4-Dimethylbenzenesulfonyl)acetic acid is 228.05 g/mol.
Where can I buy 2-(3,4-Dimethylbenzenesulfonyl)acetic acid?
You can request a quote for 2-(3,4-Dimethylbenzenesulfonyl)acetic 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-Dimethylbenzenesulfonyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-Dimethylbenzenesulfonyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.