Ferulic Acid Phenethyl Ester
TL;DR: Ferulic Acid Phenethyl Ester (CAS 71835-85-3) is a chemical compound with molecular formula C18H18O4 and molecular weight 298.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Phenethyl Ferulate, Phenylethyl 3-methylcaffeate, Phenyethyl 3-methylcaffeate, Ferulic Acid Phenethyl Ester, Caffeic Acid 3-Methyl Phenethyl Ester
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 71835-85-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C=CC(=O)OCCC2=CC=CC=C2)O |
| InChIKey | CZQNYPBIOHVQQN-UHFFFAOYSA-N |
Product Overview
Ferulic Acid Phenethyl Ester (CAS 71835-85-3), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 2-phenylethyl 3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ferulic Acid Phenethyl Ester
Property Insights of Ferulic Acid Phenethyl Ester
The XLogP value of 3.8 indicates that Ferulic Acid Phenethyl Ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Ferulic Acid Phenethyl Ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ferulic Acid Phenethyl Ester has 1 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 Ferulic Acid Phenethyl Ester?
The CAS number of Ferulic Acid Phenethyl Ester is 71835-85-3.
What is the molecular formula of Ferulic Acid Phenethyl Ester?
The molecular formula of Ferulic Acid Phenethyl Ester is C18H18O4.
What is the molecular weight of Ferulic Acid Phenethyl Ester?
The molecular weight of Ferulic Acid Phenethyl Ester is 298.12 g/mol.
Where can I buy Ferulic Acid Phenethyl Ester?
You can request a quote for Ferulic 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 Ferulic Acid Phenethyl Ester?
Yes, KEHONG BIO provides custom synthesis services for Ferulic Acid Phenethyl Ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.