2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid
TL;DR: 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid (CAS 66949-65-3) 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-(4-acetylphenyl)sulfanyl-5-chlorobenzoic acid
Also Known As: 2-(4-acetylphenyl)sulfanyl-5-chlorobenzoic acid, 2-[(4-acetylphenyl)sulfanyl]-5-chlorobenzoic acid, AE-641/30103049
| Molecular Formula | C15H11ClO3S |
|---|---|
| Molecular Weight | 306.01 g/mol |
| LogP | 4.392 |
| Topological Polar Surface Area | 54.37 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 306.01175 |
| Heavy Atoms | 20 |
| Complexity | 665.3189 |
Chemical Identifiers
| CAS Number | 66949-65-3 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)SC2=C(C=C(C=C2)Cl)C(=O)O |
Product Overview
2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid (CAS 66949-65-3), with molecular formula C15H11ClO3S and molecular weight 306.01 g/mol. IUPAC: 2-(4-acetylphenyl)sulfanyl-5-chlorobenzoic acid.
Chemical Property Profile of 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid
Property Insights of 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid
The XLogP value of 4.392 indicates that 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.37 Ų, 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic 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 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid?
The CAS number of 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid is 66949-65-3.
What is the molecular formula of 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid?
The molecular formula of 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid is C15H11ClO3S.
What is the molecular weight of 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid?
The molecular weight of 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid is 306.01 g/mol.
Where can I buy 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid?
You can request a quote for 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Acetylphenyl)sulfanyl-5-chlorobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.