3,5-Dimethoxycinnamic acid ethyl ester
TL;DR: 3,5-Dimethoxycinnamic acid ethyl ester (CAS 42174-79-8) is a chemical compound with molecular formula C13H16O4 and molecular weight 236.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
Also Known As: 3,5-Dimethoxycinnamic acid ethyl ester, (E)-ethyl 3-(3,5-dimethoxyphenyl)acrylate, Ethyl 3-(3,5-dimethoxyphenyl)acrylate, ethyl (2E)-3-(3,5-dimethoxyphenyl)prop-2-enoate, ethyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate
| Molecular Formula | C13H16O4 |
|---|---|
| Molecular Weight | 236.10 g/mol |
| LogP | 2.2801 |
| Topological Polar Surface Area | 44.76 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 236.10486 |
| Heavy Atoms | 17 |
| Complexity | 387.63052 |
Chemical Identifiers
| CAS Number | 42174-79-8 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC(=CC(=C1)OC)OC |
Product Overview
3,5-Dimethoxycinnamic acid ethyl ester (CAS 42174-79-8), with molecular formula C13H16O4 and molecular weight 236.10 g/mol. IUPAC: ethyl (E)-3-(3,5-dimethoxyphenyl)prop-2-enoate.
Chemical Property Profile of 3,5-Dimethoxycinnamic acid ethyl ester
Property Insights of 3,5-Dimethoxycinnamic acid ethyl ester
The XLogP value of 2.2801 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-Dimethoxycinnamic acid ethyl ester. With a topological polar surface area (TPSA) of 44.76 Ų, 3,5-Dimethoxycinnamic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-Dimethoxycinnamic acid ethyl ester 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 3,5-Dimethoxycinnamic acid ethyl ester?
The CAS number of 3,5-Dimethoxycinnamic acid ethyl ester is 42174-79-8.
What is the molecular formula of 3,5-Dimethoxycinnamic acid ethyl ester?
The molecular formula of 3,5-Dimethoxycinnamic acid ethyl ester is C13H16O4.
What is the molecular weight of 3,5-Dimethoxycinnamic acid ethyl ester?
The molecular weight of 3,5-Dimethoxycinnamic acid ethyl ester is 236.10 g/mol.
Where can I buy 3,5-Dimethoxycinnamic acid ethyl ester?
You can request a quote for 3,5-Dimethoxycinnamic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-Dimethoxycinnamic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3,5-Dimethoxycinnamic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.