![2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid structure](/static/products/1595/15950-42-2.webp)
2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
TL;DR: 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid (CAS 15950-42-2) is a chemical compound with molecular formula C15H11ClO3S and molecular weight 306.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylbenzoic acid
Also Known As: Maybridge4_002163, 2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid, 2-((2-(4-chlorophenyl)-2-oxoethyl)thio)benzoic acid, 2-{[2-(4-chlorophenyl)-2-oxoethyl]thio}benzoic acid, 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylbenzoic acid
| Molecular Formula | C15H11ClO3S |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 79.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 306.01175 |
| Heavy Atoms | 20 |
| Complexity | 353.0 |
Chemical Identifiers
| CAS Number | 15950-42-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)O)SCC(=O)C2=CC=C(C=C2)Cl |
| InChIKey | SWPTTWQFPBNDMV-UHFFFAOYSA-N |
Product Overview
2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid (CAS 15950-42-2), with molecular formula C15H11ClO3S and molecular weight 306.01 g/mol. IUPAC: 2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanylbenzoic acid.
Chemical Property Profile of 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
Property Insights of 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid
The XLogP value of 4.0 indicates that 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}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 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid?
The CAS number of 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid is 15950-42-2.
What is the molecular formula of 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid?
The molecular formula of 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid is C15H11ClO3S.
What is the molecular weight of 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid?
The molecular weight of 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid is 306.01 g/mol.
Where can I buy 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid?
You can request a quote for 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(4-Chlorophenyl)-2-oxoethyl]sulfanyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.