1-Phenylethanol cinnamate
TL;DR: 1-Phenylethanol cinnamate (CAS 56961-72-9) is a chemical compound with molecular formula C17H16O2 and molecular weight 252.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-phenylethyl 3-phenylprop-2-enoate
Also Known As: 1-phenylethanol cinnamate, NCIOpen2_003583, 1-phenylethyl 3-phenylprop-2-enoate, 1-phenylethyl (E)-3-phenylprop-2-enoate, 2-Propenoic acid, 3-phenyl-, 1-phenylethyl ester, (2E)-
| Molecular Formula | C17H16O2 |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.11504 |
| Heavy Atoms | 19 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 56961-72-9 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)OC(=O)C=CC2=CC=CC=C2 |
| InChIKey | CVEWELHXJQWZIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Phenylethanol cinnamate (CAS 56961-72-9), with molecular formula C17H16O2 and molecular weight 252.12 g/mol. IUPAC: 1-phenylethyl 3-phenylprop-2-enoate.
Chemical Property Profile of 1-Phenylethanol cinnamate
Property Insights of 1-Phenylethanol cinnamate
The XLogP value of 4.1 indicates that 1-Phenylethanol cinnamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 1-Phenylethanol cinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Phenylethanol cinnamate has 0 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 1-Phenylethanol cinnamate?
The CAS number of 1-Phenylethanol cinnamate is 56961-72-9.
What is the molecular formula of 1-Phenylethanol cinnamate?
The molecular formula of 1-Phenylethanol cinnamate is C17H16O2.
What is the molecular weight of 1-Phenylethanol cinnamate?
The molecular weight of 1-Phenylethanol cinnamate is 252.12 g/mol.
Where can I buy 1-Phenylethanol cinnamate?
You can request a quote for 1-Phenylethanol cinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Phenylethanol cinnamate?
Yes, KEHONG BIO provides custom synthesis services for 1-Phenylethanol cinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.