Caffeic Acid Phenethyl Ester
TL;DR: Caffeic Acid Phenethyl Ester (CAS 100981-80-4) is a chemical compound with molecular formula C17H16O4 and molecular weight 284.10486 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-phenylethyl (E)-3-(3,4-dihydroxyphenyl)prop-2-enoate
Also Known As: Caffeic acid phenethyl ester, Phenethyl caffeate, CAPE, Capeee, Phenylethyl caffeate
Technical Specifications
| Molecular Formula | C17H16O4 |
| Molecular Weight | 284.10486 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 284.10486 Da |
| Heavy Atoms | 21 |
| Complexity | 347.0 |
| SMILES | C1=CC=C(C=C1)CCOC(=O)/C=C/C2=CC(=C(C=C2)O)O |
| InChIKey | SWUARLUWKZWEBQ-VQHVLOKHSA-N |
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
What is the CAS number of Caffeic Acid Phenethyl Ester?
The CAS number of Caffeic Acid Phenethyl Ester is 100981-80-4.
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 284.10486 g/mol.
Where can I buy Caffeic Acid Phenethyl Ester?
You can request a quote for Caffeic Acid Phenethyl Ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Caffeic Acid Phenethyl Ester?
Yes, CoreyChem provides custom synthesis services for Caffeic Acid Phenethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.