4-(Methanesulfonylmethyl)benzoic acid
TL;DR: 4-(Methanesulfonylmethyl)benzoic acid (CAS 199535-00-7) 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.
4-(methylsulfonylmethyl)benzoic acid
Also Known As: 4-(Methanesulfonylmethyl)benzoic acid, 4-(methylsulfonylmethyl)benzoic acid, 4-[(methylsulfonyl)methyl]benzoic acid, 4-((Methylsulfonyl)methyl)benzoic acid, 4-methanesulfonylmethylbenzoic acid
| Molecular Formula | C9H10O4S |
|---|---|
| Molecular Weight | 214.03 g/mol |
| LogP | 1.0 |
| 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 | 199535-00-7 |
|---|---|
| SMILES | CS(=O)(=O)CC1=CC=C(C=C1)C(=O)O |
| InChIKey | HPGPGXQMPNJNPV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Methanesulfonylmethyl)benzoic acid (CAS 199535-00-7), with molecular formula C9H10O4S and molecular weight 214.03 g/mol. IUPAC: 4-(methylsulfonylmethyl)benzoic acid.
Chemical Property Profile of 4-(Methanesulfonylmethyl)benzoic acid
Property Insights of 4-(Methanesulfonylmethyl)benzoic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Methanesulfonylmethyl)benzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Methanesulfonylmethyl)benzoic acid. Following Lipinski's Rule of Five, 4-(Methanesulfonylmethyl)benzoic 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-(Methanesulfonylmethyl)benzoic acid?
The CAS number of 4-(Methanesulfonylmethyl)benzoic acid is 199535-00-7.
What is the molecular formula of 4-(Methanesulfonylmethyl)benzoic acid?
The molecular formula of 4-(Methanesulfonylmethyl)benzoic acid is C9H10O4S.
What is the molecular weight of 4-(Methanesulfonylmethyl)benzoic acid?
The molecular weight of 4-(Methanesulfonylmethyl)benzoic acid is 214.03 g/mol.
Where can I buy 4-(Methanesulfonylmethyl)benzoic acid?
You can request a quote for 4-(Methanesulfonylmethyl)benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Methanesulfonylmethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Methanesulfonylmethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.