Coniferyl ferulate
TL;DR: Coniferyl ferulate (CAS 62706-35-8) is a chemical compound with molecular formula C20H20O6 and molecular weight 356.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Coniferyl ferulate, coniferylferulate, Coniferyl ferulate [M+H]+, 3-(4-Hydroxy-3-methoxyphenyl)allyl 3-(4-hydroxy-3-methoxyphenyl)acrylate, J2.364.262J
| Molecular Formula | C20H20O6 |
|---|---|
| Molecular Weight | 356.13 g/mol |
| LogP | 3.3848 |
| Topological Polar Surface Area | 85.22 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 356.12598 |
| Heavy Atoms | 26 |
| Complexity | 823.04626 |
Chemical Identifiers
| CAS Number | 62706-35-8 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/COC(=O)/C=C/C2=CC(=C(C=C2)O)OC)O |
Product Overview
Coniferyl ferulate (CAS 62706-35-8), with molecular formula C20H20O6 and molecular weight 356.13 g/mol. IUPAC: [(E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enyl] (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Coniferyl ferulate
Property Insights of Coniferyl ferulate
The XLogP value of 3.3848 indicates that Coniferyl ferulate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.22 Ų falls within the moderate polarity range, balancing permeability and solubility for Coniferyl ferulate. Following Lipinski's Rule of Five, Coniferyl ferulate has 2 hydrogen bond donor(s) and 6 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 Coniferyl ferulate?
The CAS number of Coniferyl ferulate is 62706-35-8.
What is the molecular formula of Coniferyl ferulate?
The molecular formula of Coniferyl ferulate is C20H20O6.
What is the molecular weight of Coniferyl ferulate?
The molecular weight of Coniferyl ferulate is 356.13 g/mol.
Where can I buy Coniferyl ferulate?
You can request a quote for Coniferyl ferulate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coniferyl ferulate?
Yes, KEHONG BIO provides custom synthesis services for Coniferyl ferulate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.