Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-
TL;DR: Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- (CAS 58844-75-0) is a chemical compound with molecular formula C15H14O4S and molecular weight 290.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2,3-dimethylphenyl)sulfonylbenzoic acid
Also Known As: o-((2,3-Xylyl)sulfonyl)benzoic acid, 2-[ sulfonyl]benzoicacid, 2-((2,3-Dimethylphenyl)sulfonyl)benzoic acid, 2-(2,3-dimethylphenyl)sulfonylbenzoic acid, Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-
| Molecular Formula | C15H14O4S |
|---|---|
| Molecular Weight | 290.06 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.06128 |
| Heavy Atoms | 20 |
| Complexity | 451.0 |
Chemical Identifiers
| CAS Number | 58844-75-0 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)S(=O)(=O)C2=CC=CC=C2C(=O)O)C |
| InChIKey | ADTDTEOEJQZOKN-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- (CAS 58844-75-0), with molecular formula C15H14O4S and molecular weight 290.06 g/mol. IUPAC: 2-(2,3-dimethylphenyl)sulfonylbenzoic acid.
Chemical Property Profile of Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-
Property Insights of Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-
The XLogP value of 3.0 indicates that Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-. Following Lipinski's Rule of Five, Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- 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 Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-?
The CAS number of Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- is 58844-75-0.
What is the molecular formula of Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-?
The molecular formula of Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- is C15H14O4S.
What is the molecular weight of Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-?
The molecular weight of Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- is 290.06 g/mol.
Where can I buy Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-?
You can request a quote for Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 2-((2,3-dimethylphenyl)sulfonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.