4-Chlorophenyl salicylate
TL;DR: 4-Chlorophenyl salicylate (CAS 2944-58-3) 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-chlorophenyl) 2-hydroxybenzoate
Also Known As: 4-Chlorophenyl salicylate, 4-chlorophenyl 2-hydroxybenzoate, p-chlorophenyl salicylate, 4-chlorophenylsalicylate, (4-chlorophenyl) 2-hydroxybenzoate
| Molecular Formula | C13H9ClO3 |
|---|---|
| Molecular Weight | 248.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 248.02402 |
| Heavy Atoms | 17 |
| Complexity | 261.0 |
Chemical Identifiers
| CAS Number | 2944-58-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)OC2=CC=C(C=C2)Cl)O |
| InChIKey | TUYYMOBSJNEIKN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Chlorophenyl salicylate (CAS 2944-58-3), with molecular formula C13H9ClO3 and molecular weight 248.02 g/mol. IUPAC: (4-chlorophenyl) 2-hydroxybenzoate.
Chemical Property Profile of 4-Chlorophenyl salicylate
Property Insights of 4-Chlorophenyl salicylate
The XLogP value of 4.5 indicates that 4-Chlorophenyl salicylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-Chlorophenyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chlorophenyl salicylate 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 4-Chlorophenyl salicylate?
The CAS number of 4-Chlorophenyl salicylate is 2944-58-3.
What is the molecular formula of 4-Chlorophenyl salicylate?
The molecular formula of 4-Chlorophenyl salicylate is C13H9ClO3.
What is the molecular weight of 4-Chlorophenyl salicylate?
The molecular weight of 4-Chlorophenyl salicylate is 248.02 g/mol.
Where can I buy 4-Chlorophenyl salicylate?
You can request a quote for 4-Chlorophenyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chlorophenyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for 4-Chlorophenyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.