4-Chloro-2-(2-thienylethyl)benzoic acid
TL;DR: 4-Chloro-2-(2-thienylethyl)benzoic acid (CAS 4506-49-4) is a chemical compound with molecular formula C13H11ClO2S and molecular weight 266.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-(2-thiophen-2-ylethyl)benzoic acid
Also Known As: 4-CHLORO-2-(2-THIENYLETHYL)BENZOIC ACID, 4-chloro-2-(2-thiophen-2-ylethyl)benzoic Acid, 4-Chloro-2-[2-(2-thienyl)ethyl]benzoic acid, 666-055-3, RefChem:520920
| Molecular Formula | C13H11ClO2S |
|---|---|
| Molecular Weight | 266.02 g/mol |
| LogP | 3.8849 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 266.0168 |
| Heavy Atoms | 17 |
| Complexity | 520.22064 |
Chemical Identifiers
| CAS Number | 4506-49-4 |
|---|---|
| SMILES | C1=CSC(=C1)CCC2=C(C=CC(=C2)Cl)C(=O)O |
Product Overview
4-Chloro-2-(2-thienylethyl)benzoic acid (CAS 4506-49-4), with molecular formula C13H11ClO2S and molecular weight 266.02 g/mol. IUPAC: 4-chloro-2-(2-thiophen-2-ylethyl)benzoic acid.
Chemical Property Profile of 4-Chloro-2-(2-thienylethyl)benzoic acid
Property Insights of 4-Chloro-2-(2-thienylethyl)benzoic acid
The XLogP value of 3.8849 indicates that 4-Chloro-2-(2-thienylethyl)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, 4-Chloro-2-(2-thienylethyl)benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-(2-thienylethyl)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 4-Chloro-2-(2-thienylethyl)benzoic acid?
The CAS number of 4-Chloro-2-(2-thienylethyl)benzoic acid is 4506-49-4.
What is the molecular formula of 4-Chloro-2-(2-thienylethyl)benzoic acid?
The molecular formula of 4-Chloro-2-(2-thienylethyl)benzoic acid is C13H11ClO2S.
What is the molecular weight of 4-Chloro-2-(2-thienylethyl)benzoic acid?
The molecular weight of 4-Chloro-2-(2-thienylethyl)benzoic acid is 266.02 g/mol.
Where can I buy 4-Chloro-2-(2-thienylethyl)benzoic acid?
You can request a quote for 4-Chloro-2-(2-thienylethyl)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-Chloro-2-(2-thienylethyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-(2-thienylethyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.