4-Chloro-2-phenoxybenzoic acid
TL;DR: 4-Chloro-2-phenoxybenzoic acid (CAS 69206-97-9) is a chemical compound with molecular formula C13H9ClO3 and molecular weight 248.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-2-phenoxybenzoic acid
Also Known As: 4-chloro-2-phenoxybenzoic acid, 4-chloro-2-phenoxy-benzoic Acid, J1.893.877D
| Molecular Formula | C13H9ClO3 |
|---|---|
| Molecular Weight | 248.02 g/mol |
| LogP | 3.8305 |
| Topological Polar Surface Area | 46.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.02402 |
| Heavy Atoms | 17 |
| Complexity | 537.6158 |
Chemical Identifiers
| CAS Number | 69206-97-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)OC2=C(C=CC(=C2)Cl)C(=O)O |
Product Overview
4-Chloro-2-phenoxybenzoic acid (CAS 69206-97-9), with molecular formula C13H9ClO3 and molecular weight 248.02 g/mol. IUPAC: 4-chloro-2-phenoxybenzoic acid.
Chemical Property Profile of 4-Chloro-2-phenoxybenzoic acid
Property Insights of 4-Chloro-2-phenoxybenzoic acid
The XLogP value of 3.8305 indicates that 4-Chloro-2-phenoxybenzoic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.53 Ų, 4-Chloro-2-phenoxybenzoic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-2-phenoxybenzoic 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-phenoxybenzoic acid?
The CAS number of 4-Chloro-2-phenoxybenzoic acid is 69206-97-9.
What is the molecular formula of 4-Chloro-2-phenoxybenzoic acid?
The molecular formula of 4-Chloro-2-phenoxybenzoic acid is C13H9ClO3.
What is the molecular weight of 4-Chloro-2-phenoxybenzoic acid?
The molecular weight of 4-Chloro-2-phenoxybenzoic acid is 248.02 g/mol.
Where can I buy 4-Chloro-2-phenoxybenzoic acid?
You can request a quote for 4-Chloro-2-phenoxybenzoic 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-phenoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-2-phenoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.