Phenylethyl 3-methylcaffeate
TL;DR: Phenylethyl 3-methylcaffeate (CAS 132335-98-9) 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 (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate
Also Known As: Phenethyl Ferulate, Phenylethyl 3-methylcaffeate, phenethylferulate, phenylethyl ferulate, Phenetyl ferulate
| Molecular Formula | C18H18O4 |
|---|---|
| Molecular Weight | 298.12 g/mol |
| LogP | 3.1999 |
| Topological Polar Surface Area | 55.76 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 298.1205 |
| Heavy Atoms | 22 |
| Complexity | 647.39166 |
Chemical Identifiers
| CAS Number | 132335-98-9 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/C(=O)OCCC2=CC=CC=C2)O |
Product Overview
Phenylethyl 3-methylcaffeate (CAS 132335-98-9), with molecular formula C18H18O4 and molecular weight 298.12 g/mol. IUPAC: 2-phenylethyl (E)-3-(4-hydroxy-3-methoxyphenyl)prop-2-enoate.
Chemical Property Profile of Phenylethyl 3-methylcaffeate
Property Insights of Phenylethyl 3-methylcaffeate
The XLogP value of 3.1999 indicates that Phenylethyl 3-methylcaffeate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.76 Ų, Phenylethyl 3-methylcaffeate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenylethyl 3-methylcaffeate 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 Phenylethyl 3-methylcaffeate?
The CAS number of Phenylethyl 3-methylcaffeate is 132335-98-9.
What is the molecular formula of Phenylethyl 3-methylcaffeate?
The molecular formula of Phenylethyl 3-methylcaffeate is C18H18O4.
What is the molecular weight of Phenylethyl 3-methylcaffeate?
The molecular weight of Phenylethyl 3-methylcaffeate is 298.12 g/mol.
Where can I buy Phenylethyl 3-methylcaffeate?
You can request a quote for Phenylethyl 3-methylcaffeate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenylethyl 3-methylcaffeate?
Yes, KEHONG BIO provides custom synthesis services for Phenylethyl 3-methylcaffeate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.