3-Phenylpropyl salicylate
TL;DR: 3-Phenylpropyl salicylate (CAS 24781-13-3) is a chemical compound with molecular formula C16H16O3 and molecular weight 256.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-phenylpropyl 2-hydroxybenzoate
Also Known As: 3-Phenylpropyl salicylate, 3-Phenylpropylsalicylate, 3-phenylpropyl 2-hydroxybenzoate, phenylpropyl salicylate, 3-phenyl propyl salicylate
| Molecular Formula | C16H16O3 |
|---|---|
| Molecular Weight | 256.11 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 256.10995 |
| Heavy Atoms | 19 |
| Complexity | 271.0 |
Chemical Identifiers
| CAS Number | 24781-13-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCCOC(=O)C2=CC=CC=C2O |
| InChIKey | GMHNYYKDPGWAJR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Phenylpropyl salicylate (CAS 24781-13-3), with molecular formula C16H16O3 and molecular weight 256.11 g/mol. IUPAC: 3-phenylpropyl 2-hydroxybenzoate.
Chemical Property Profile of 3-Phenylpropyl salicylate
Property Insights of 3-Phenylpropyl salicylate
The XLogP value of 5.2 indicates that 3-Phenylpropyl 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, 3-Phenylpropyl salicylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Phenylpropyl salicylate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-Phenylpropyl salicylate?
The CAS number of 3-Phenylpropyl salicylate is 24781-13-3.
What is the molecular formula of 3-Phenylpropyl salicylate?
The molecular formula of 3-Phenylpropyl salicylate is C16H16O3.
What is the molecular weight of 3-Phenylpropyl salicylate?
The molecular weight of 3-Phenylpropyl salicylate is 256.11 g/mol.
Where can I buy 3-Phenylpropyl salicylate?
You can request a quote for 3-Phenylpropyl salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Phenylpropyl salicylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Phenylpropyl salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.