Phenethyl Dimethyl Caffeate
TL;DR: Phenethyl Dimethyl Caffeate (CAS 118971-62-3) is a chemical compound with molecular formula C19H20O4 and molecular weight 312.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenylethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Also Known As: caffeic acid, Phenethyl Dimethyl Caffeate, Dimethyl Phenethyl Ester, Caffeic Acid Dimethyl Ether Phenethyl Ester, Phenethyl 3-(3,4-dimethoxyphenyl)acrylate
| Molecular Formula | C19H20O4 |
|---|---|
| Molecular Weight | 312.14 g/mol |
| LogP | 3.5029 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 312.13617 |
| Heavy Atoms | 23 |
| Complexity | 662.32477 |
Chemical Identifiers
| CAS Number | 118971-62-3 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/C(=O)OCCC2=CC=CC=C2)OC |
Product Overview
Phenethyl Dimethyl Caffeate (CAS 118971-62-3), with molecular formula C19H20O4 and molecular weight 312.14 g/mol. IUPAC: 2-phenylethyl (E)-3-(3,4-dimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of Phenethyl Dimethyl Caffeate
Property Insights of Phenethyl Dimethyl Caffeate
The XLogP value of 3.5029 indicates that Phenethyl Dimethyl Caffeate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.76 Ų, Phenethyl Dimethyl Caffeate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phenethyl Dimethyl Caffeate has 0 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 Phenethyl Dimethyl Caffeate?
The CAS number of Phenethyl Dimethyl Caffeate is 118971-62-3.
What is the molecular formula of Phenethyl Dimethyl Caffeate?
The molecular formula of Phenethyl Dimethyl Caffeate is C19H20O4.
What is the molecular weight of Phenethyl Dimethyl Caffeate?
The molecular weight of Phenethyl Dimethyl Caffeate is 312.14 g/mol.
Where can I buy Phenethyl Dimethyl Caffeate?
You can request a quote for Phenethyl Dimethyl Caffeate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phenethyl Dimethyl Caffeate?
Yes, KEHONG BIO provides custom synthesis services for Phenethyl Dimethyl Caffeate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.