![2-[(4-Chlorophenyl)methyl]benzoic acid structure](/static/products/4889/4889-70-7.webp)
2-[(4-Chlorophenyl)methyl]benzoic acid
TL;DR: 2-[(4-Chlorophenyl)methyl]benzoic acid (CAS 4889-70-7) is a chemical compound with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-chlorophenyl)methyl]benzoic acid
Also Known As: 2-[(4-chlorophenyl)methyl]benzoic acid, 2-(4-chlorobenzyl)benzoic acid, 4-bromo-5-nitroacenaphthene, 2-((4-Chlorophenyl)methyl)benzoic acid, 2-(4-Chloro-benzyl)-benzoic acid
| Molecular Formula | C14H11ClO2 |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.04475 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 4889-70-7 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CC2=CC=C(C=C2)Cl)C(=O)O |
| InChIKey | GSOKCVIYGKIMJK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[(4-Chlorophenyl)methyl]benzoic acid (CAS 4889-70-7), with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol. IUPAC: 2-[(4-chlorophenyl)methyl]benzoic acid.
Chemical Property Profile of 2-[(4-Chlorophenyl)methyl]benzoic acid
Property Insights of 2-[(4-Chlorophenyl)methyl]benzoic acid
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[(4-Chlorophenyl)methyl]benzoic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 2-[(4-Chlorophenyl)methyl]benzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(4-Chlorophenyl)methyl]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-[(4-Chlorophenyl)methyl]benzoic acid?
The CAS number of 2-[(4-Chlorophenyl)methyl]benzoic acid is 4889-70-7.
What is the molecular formula of 2-[(4-Chlorophenyl)methyl]benzoic acid?
The molecular formula of 2-[(4-Chlorophenyl)methyl]benzoic acid is C14H11ClO2.
What is the molecular weight of 2-[(4-Chlorophenyl)methyl]benzoic acid?
The molecular weight of 2-[(4-Chlorophenyl)methyl]benzoic acid is 246.04 g/mol.
Where can I buy 2-[(4-Chlorophenyl)methyl]benzoic acid?
You can request a quote for 2-[(4-Chlorophenyl)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 2-[(4-Chlorophenyl)methyl]benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[(4-Chlorophenyl)methyl]benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.