4-(((4-Chlorophenyl)thio)methyl)benzoic acid
TL;DR: 4-(((4-Chlorophenyl)thio)methyl)benzoic acid (CAS 89797-57-9) is a chemical compound with molecular formula C14H11ClO2S and molecular weight 278.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-chlorophenyl)sulfanylmethyl]benzoic acid
Also Known As: 4-(4-Chloro-phenylsulfanylmethyl)-benzoic acid, 4- -benzoicacid, 4-[(4-chlorophenyl)sulfanylmethyl]benzoic acid, 4-{[(4-chlorophenyl)sulfanyl]methyl}benzoic acid, benzoic acid, 4-[[(4-chlorophenyl)thio]methyl]-
| Molecular Formula | C14H11ClO2S |
|---|---|
| Molecular Weight | 278.02 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 62.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0168 |
| Heavy Atoms | 18 |
| Complexity | 269.0 |
Chemical Identifiers
| CAS Number | 89797-57-9 |
|---|---|
| SMILES | C1=CC(=CC=C1CSC2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | WLILBDMBJNDKRT-UHFFFAOYSA-N |
Product Overview
4-(((4-Chlorophenyl)thio)methyl)benzoic acid (CAS 89797-57-9), with molecular formula C14H11ClO2S and molecular weight 278.02 g/mol. IUPAC: 4-[(4-chlorophenyl)sulfanylmethyl]benzoic acid.
Chemical Property Profile of 4-(((4-Chlorophenyl)thio)methyl)benzoic acid
Property Insights of 4-(((4-Chlorophenyl)thio)methyl)benzoic acid
The XLogP value of 4.1 indicates that 4-(((4-Chlorophenyl)thio)methyl)benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(((4-Chlorophenyl)thio)methyl)benzoic acid. Following Lipinski's Rule of Five, 4-(((4-Chlorophenyl)thio)methyl)benzoic acid has 1 hydrogen bond donor(s) and 3 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-(((4-Chlorophenyl)thio)methyl)benzoic acid?
The CAS number of 4-(((4-Chlorophenyl)thio)methyl)benzoic acid is 89797-57-9.
What is the molecular formula of 4-(((4-Chlorophenyl)thio)methyl)benzoic acid?
The molecular formula of 4-(((4-Chlorophenyl)thio)methyl)benzoic acid is C14H11ClO2S.
What is the molecular weight of 4-(((4-Chlorophenyl)thio)methyl)benzoic acid?
The molecular weight of 4-(((4-Chlorophenyl)thio)methyl)benzoic acid is 278.02 g/mol.
Where can I buy 4-(((4-Chlorophenyl)thio)methyl)benzoic acid?
You can request a quote for 4-(((4-Chlorophenyl)thio)methyl)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-(((4-Chlorophenyl)thio)methyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(((4-Chlorophenyl)thio)methyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.