ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
TL;DR: ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate (CAS 129115-53-3) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
Also Known As: ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate, ethyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate, A3989/0169958, ETHYL (E)-2-CYANO-3-(4-ETHOXYPHENYL)-2-PROPENOATE, 2-CYANO-3-(4-ETHOXY-PHENYL)-ACRYLIC ACID ETHYL ESTER
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 59.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 129115-53-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)OCC |
| InChIKey | OJTPOZKRLMEHTI-FMIVXFBMSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate (CAS 129115-53-3), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: ethyl (E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate.
Chemical Property Profile of ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
Property Insights of ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate. With a topological polar surface area (TPSA) of 59.3 Ų, ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate 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 ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate?
The CAS number of ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate is 129115-53-3.
What is the molecular formula of ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate?
The molecular formula of ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate is C14H15NO3.
What is the molecular weight of ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate?
The molecular weight of ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate is 245.11 g/mol.
Where can I buy ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate?
You can request a quote for ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (2E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.