Ethyl 2-ethoxycinnamate
TL;DR: Ethyl 2-ethoxycinnamate (CAS 70326-80-6) is a chemical compound with molecular formula C13H16O3 and molecular weight 220.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-(2-ethoxyphenyl)prop-2-enoate
Also Known As: Ethyl 2-ethoxycinnamate, Ethyl-2-ethoxycinnamate, Ethyl o-ethoxycinnamate, ethyl 3-(2-ethoxyphenyl)prop-2-enoate, (E)-3-(2-Ethoxyphenyl)-acrylic acid ethyl ester
| Molecular Formula | C13H16O3 |
|---|---|
| Molecular Weight | 220.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 220.10994 |
| Heavy Atoms | 16 |
| Complexity | 235.0 |
Chemical Identifiers
| CAS Number | 70326-80-6 |
|---|---|
| SMILES | CCOC1=CC=CC=C1C=CC(=O)OCC |
| InChIKey | WJRLRVSUBGIUGI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-ethoxycinnamate (CAS 70326-80-6), with molecular formula C13H16O3 and molecular weight 220.11 g/mol. IUPAC: ethyl 3-(2-ethoxyphenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 2-ethoxycinnamate
Property Insights of Ethyl 2-ethoxycinnamate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-ethoxycinnamate. With a topological polar surface area (TPSA) of 35.5 Ų, Ethyl 2-ethoxycinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-ethoxycinnamate has 0 hydrogen bond donor(s) and 3 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 2-ethoxycinnamate?
The CAS number of Ethyl 2-ethoxycinnamate is 70326-80-6.
What is the molecular formula of Ethyl 2-ethoxycinnamate?
The molecular formula of Ethyl 2-ethoxycinnamate is C13H16O3.
What is the molecular weight of Ethyl 2-ethoxycinnamate?
The molecular weight of Ethyl 2-ethoxycinnamate is 220.11 g/mol.
Where can I buy Ethyl 2-ethoxycinnamate?
You can request a quote for Ethyl 2-ethoxycinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-ethoxycinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-ethoxycinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.