(4-Tolylsulphonyl)acetic acid
TL;DR: (4-Tolylsulphonyl)acetic acid (CAS 3937-96-0) 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-(4-methylphenyl)sulfonylacetic acid
Also Known As: 2-tosylacetic acid, 4-Toluenesulfonylacetic acid, 4-Toluenesulphonylacetic acid, Tosylacetic acid, 2-tosylaceticacid
| Molecular Formula | C9H10O4S |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 1.1 |
| 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 | 293.0 |
Chemical Identifiers
| CAS Number | 3937-96-0 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)CC(=O)O |
| InChIKey | AQDHXMBUTDLAMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
(4-Tolylsulphonyl)acetic acid (CAS 3937-96-0), with molecular formula C9H10O4S and molecular weight 214.03 g/mol. IUPAC: 2-(4-methylphenyl)sulfonylacetic acid.
Chemical Property Profile of (4-Tolylsulphonyl)acetic acid
Property Insights of (4-Tolylsulphonyl)acetic acid
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (4-Tolylsulphonyl)acetic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Tolylsulphonyl)acetic acid. Following Lipinski's Rule of Five, (4-Tolylsulphonyl)acetic 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 (4-Tolylsulphonyl)acetic acid?
The CAS number of (4-Tolylsulphonyl)acetic acid is 3937-96-0.
What is the molecular formula of (4-Tolylsulphonyl)acetic acid?
The molecular formula of (4-Tolylsulphonyl)acetic acid is C9H10O4S.
What is the molecular weight of (4-Tolylsulphonyl)acetic acid?
The molecular weight of (4-Tolylsulphonyl)acetic acid is 214.03 g/mol.
Where can I buy (4-Tolylsulphonyl)acetic acid?
You can request a quote for (4-Tolylsulphonyl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Tolylsulphonyl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-Tolylsulphonyl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.