2-(Benzenesulfonyl)propanoic acid
TL;DR: 2-(Benzenesulfonyl)propanoic acid (CAS 34097-60-4) is a chemical compound with molecular formula C9H10O4S and molecular weight 214.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(benzenesulfonyl)propanoic acid
Also Known As: 2-(benzenesulfonyl)propanoic acid, methyl(phenylsulfonyl)acetate, 2-Phenylsulfonylpropanoic acid, METHYL-(PHENYLSULFONYL)ACETATE, RefChem:253197
| Molecular Formula | C9H10O4S |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 214.02998 |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 34097-60-4 |
|---|---|
| SMILES | CC(C(=O)O)S(=O)(=O)C1=CC=CC=C1 |
| InChIKey | WIQURXUWPJLEDJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Benzenesulfonyl)propanoic acid (CAS 34097-60-4), with molecular formula C9H10O4S and molecular weight 214.03 g/mol. IUPAC: 2-(benzenesulfonyl)propanoic acid.
Chemical Property Profile of 2-(Benzenesulfonyl)propanoic acid
Property Insights of 2-(Benzenesulfonyl)propanoic acid
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Benzenesulfonyl)propanoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Benzenesulfonyl)propanoic acid. Following Lipinski's Rule of Five, 2-(Benzenesulfonyl)propanoic acid has 1 hydrogen bond donor(s) and 4 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-(Benzenesulfonyl)propanoic acid?
The CAS number of 2-(Benzenesulfonyl)propanoic acid is 34097-60-4.
What is the molecular formula of 2-(Benzenesulfonyl)propanoic acid?
The molecular formula of 2-(Benzenesulfonyl)propanoic acid is C9H10O4S.
What is the molecular weight of 2-(Benzenesulfonyl)propanoic acid?
The molecular weight of 2-(Benzenesulfonyl)propanoic acid is 214.03 g/mol.
Where can I buy 2-(Benzenesulfonyl)propanoic acid?
You can request a quote for 2-(Benzenesulfonyl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Benzenesulfonyl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Benzenesulfonyl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.