3-(4-Methylphenyl)sulfonylbenzoic acid
TL;DR: 3-(4-Methylphenyl)sulfonylbenzoic acid (CAS 7209-71-4) is a chemical compound with molecular formula C14H12O4S and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-methylphenyl)sulfonylbenzoic acid
Also Known As: 3-(4-methylphenyl)sulfonylbenzoic acid, 2-Benzimidazol-1-yl-aethanol, Benzoic acid,3-[(4-methylphenyl)sulfonyl]-, 3-[(4-methylphenyl)sulfonyl]benzoic acid, 3-(4-Methylbenzene-1-sulfonyl)benzoic acid
| Molecular Formula | C14H12O4S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.04562 |
| Heavy Atoms | 19 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 7209-71-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)O |
| InChIKey | NEQGLKHPOGOAHS-UHFFFAOYSA-N |
Product Overview
3-(4-Methylphenyl)sulfonylbenzoic acid (CAS 7209-71-4), with molecular formula C14H12O4S and molecular weight 276.05 g/mol. IUPAC: 3-(4-methylphenyl)sulfonylbenzoic acid.
Chemical Property Profile of 3-(4-Methylphenyl)sulfonylbenzoic acid
Property Insights of 3-(4-Methylphenyl)sulfonylbenzoic acid
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylphenyl)sulfonylbenzoic acid. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Methylphenyl)sulfonylbenzoic acid. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)sulfonylbenzoic 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 3-(4-Methylphenyl)sulfonylbenzoic acid?
The CAS number of 3-(4-Methylphenyl)sulfonylbenzoic acid is 7209-71-4.
What is the molecular formula of 3-(4-Methylphenyl)sulfonylbenzoic acid?
The molecular formula of 3-(4-Methylphenyl)sulfonylbenzoic acid is C14H12O4S.
What is the molecular weight of 3-(4-Methylphenyl)sulfonylbenzoic acid?
The molecular weight of 3-(4-Methylphenyl)sulfonylbenzoic acid is 276.05 g/mol.
Where can I buy 3-(4-Methylphenyl)sulfonylbenzoic acid?
You can request a quote for 3-(4-Methylphenyl)sulfonylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)sulfonylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)sulfonylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.