![2-[(2-Chlorobenzyl)thio]benzoic acid structure](/static/products/4403/440347-30-8.webp)
2-[(2-Chlorobenzyl)thio]benzoic acid
TL;DR: 2-[(2-Chlorobenzyl)thio]benzoic acid (CAS 440347-30-8) 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.
2-[(2-chlorophenyl)methylsulfanyl]benzoic acid
Also Known As: 2-[(2-CHLOROBENZYL)THIO]BENZOIC ACID, 2-[(2-chlorophenyl)methylsulfanyl]benzoic Acid, 2-((2-Chlorobenzyl)thio)benzoic acid, CHEMBRDG-BB6443760, CHEMBRDG-BB 6443760
| Molecular Formula | C14H11ClO2S |
|---|---|
| Molecular Weight | 278.02 g/mol |
| LogP | 4.3305 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 278.0168 |
| Heavy Atoms | 18 |
| Complexity | 569.2254 |
Chemical Identifiers
| CAS Number | 440347-30-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CSC2=CC=CC=C2C(=O)O)Cl |
Product Overview
2-[(2-Chlorobenzyl)thio]benzoic acid (CAS 440347-30-8), with molecular formula C14H11ClO2S and molecular weight 278.02 g/mol. IUPAC: 2-[(2-chlorophenyl)methylsulfanyl]benzoic acid.
Chemical Property Profile of 2-[(2-Chlorobenzyl)thio]benzoic acid
Property Insights of 2-[(2-Chlorobenzyl)thio]benzoic acid
The XLogP value of 4.3305 indicates that 2-[(2-Chlorobenzyl)thio]benzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.3 Ų, 2-[(2-Chlorobenzyl)thio]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-Chlorobenzyl)thio]benzoic acid has 1 hydrogen bond donor(s) and 2 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-Chlorobenzyl)thio]benzoic acid?
The CAS number of 2-[(2-Chlorobenzyl)thio]benzoic acid is 440347-30-8.
What is the molecular formula of 2-[(2-Chlorobenzyl)thio]benzoic acid?
The molecular formula of 2-[(2-Chlorobenzyl)thio]benzoic acid is C14H11ClO2S.
What is the molecular weight of 2-[(2-Chlorobenzyl)thio]benzoic acid?
The molecular weight of 2-[(2-Chlorobenzyl)thio]benzoic acid is 278.02 g/mol.
Where can I buy 2-[(2-Chlorobenzyl)thio]benzoic acid?
You can request a quote for 2-[(2-Chlorobenzyl)thio]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-Chlorobenzyl)thio]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-Chlorobenzyl)thio]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.