Phenethyl salicylate
TL;DR: Phenethyl salicylate (CAS 87-22-9) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 2-hydroxybenzoate
Also Known As: Phenethyl salicylate, phenethyl 2-hydroxybenzoate, 2-Phenylethyl 2-hydroxybenzoate, Phenylethyl salicylate, 2-Phenylethyl salicylate
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 258.0 |
| Melting Point | 44 °C |
| Boiling Point | 370.00 °C. @ 760.00 mm Hg |
| Solubility | insoluble in water, glycerol, glycols; soluble in organic solvents, oils |
Chemical Identifiers
| CAS Number | 87-22-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C2=CC=CC=C2O |
| InChIKey | YNMSDIQQNIRGDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phenethyl salicylate (CAS 87-22-9), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: 2-phenylethyl 2-hydroxybenzoate.
Chemical Property Profile of Phenethyl salicylate
Property Insights of Phenethyl salicylate
The XLogP value of 4.5 indicates that Phenethyl 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, Phenethyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl 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 Phenethyl salicylate?
The CAS number of Phenethyl salicylate is 87-22-9.
What is the molecular formula of Phenethyl salicylate?
The molecular formula of Phenethyl salicylate is C15H14O3.
What is the molecular weight of Phenethyl salicylate?
The molecular weight of Phenethyl salicylate is 242.09 g/mol.
Where can I buy Phenethyl salicylate?
You can request a quote for Phenethyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.