Caffeic acid-phenethyl ester
TL;DR: Caffeic acid-phenethyl ester (CAS 104594-70-9) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Phenethyl caffeate, Caffeic acid phenethyl ester, CAPE, Phenylethyl caffeate, Caffeic acid-phenethyl ester
| Molecular Formula | C17H16O4 |
|---|---|
| Molecular Weight | 284.10 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.10486 |
| Heavy Atoms | 21 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 104594-70-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCOC(=O)C=CC2=CC(=C(C=C2)O)O |
| InChIKey | SWUARLUWKZWEBQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Caffeic acid-phenethyl ester (CAS 104594-70-9), with molecular formula C17H16O4 and molecular weight 284.10 g/mol. IUPAC: 2-phenylethyl 3-(3,4-dihydroxyphenyl)prop-2-enoate.
Chemical Property Profile of Caffeic acid-phenethyl ester
Property Insights of Caffeic acid-phenethyl ester
The XLogP value of 4.2 indicates that Caffeic acid-phenethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Caffeic acid-phenethyl ester. Following Lipinski's Rule of Five, Caffeic acid-phenethyl ester has 2 hydrogen bond donor(s) and 4 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 Caffeic acid-phenethyl ester?
The CAS number of Caffeic acid-phenethyl ester is 104594-70-9.
What is the molecular formula of Caffeic acid-phenethyl ester?
The molecular formula of Caffeic acid-phenethyl ester is C17H16O4.
What is the molecular weight of Caffeic acid-phenethyl ester?
The molecular weight of Caffeic acid-phenethyl ester is 284.10 g/mol.
Where can I buy Caffeic acid-phenethyl ester?
You can request a quote for Caffeic acid-phenethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Caffeic acid-phenethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Caffeic acid-phenethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.