Ethyl Ferulate
TL;DR: Ethyl Ferulate (CAS 40717-63-3) is a chemical compound with molecular formula C12H14O4 and molecular weight 222.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Ethyl ferulate, Ferulic acid ethyl ester, Ethyl (E)-ferulate, Ethyl 4-hydroxy-3-methoxycinnamate, ethyl 3-(4-hydroxy-3-methoxyphenyl)acrylate
| Molecular Formula | C12H14O4 |
|---|---|
| Molecular Weight | 222.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 222.0892 |
| Heavy Atoms | 16 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 40717-63-3 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC(=C(C=C1)O)OC |
| InChIKey | ATJVZXXHKSYELS-FNORWQNLSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl Ferulate (CAS 40717-63-3), with molecular formula C12H14O4 and molecular weight 222.09 g/mol. IUPAC: ethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl Ferulate
Property Insights of Ethyl Ferulate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl Ferulate. With a topological polar surface area (TPSA) of 55.8 Ų, Ethyl Ferulate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl Ferulate 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 Ethyl Ferulate?
The CAS number of Ethyl Ferulate is 40717-63-3.
What is the molecular formula of Ethyl Ferulate?
The molecular formula of Ethyl Ferulate is C12H14O4.
What is the molecular weight of Ethyl Ferulate?
The molecular weight of Ethyl Ferulate is 222.09 g/mol.
Where can I buy Ethyl Ferulate?
You can request a quote for Ethyl Ferulate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl Ferulate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl Ferulate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.