Ethyl 4-Cyanocinnamate
TL;DR: Ethyl 4-Cyanocinnamate (CAS 6265-53-8) is a chemical compound with molecular formula C12H11NO2 and molecular weight 201.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-3-(4-cyanophenyl)prop-2-enoate
Also Known As: Ethyl 4-Cyanocinnamate, Ethyl 3-(4-cyanophenyl)acrylate, (E)-ethyl 3-(4-cyanophenyl)acrylate, Ethyl (E)-3-(4-cyanophenyl)acrylate, 4-Cyanocinnamic Acid Ethyl Ester
| Molecular Formula | C12H11NO2 |
|---|---|
| Molecular Weight | 201.08 g/mol |
| LogP | 2.13458 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 201.07898 |
| Heavy Atoms | 15 |
| Complexity | 398.62546 |
Chemical Identifiers
| CAS Number | 6265-53-8 |
|---|---|
| SMILES | CCOC(=O)/C=C/C1=CC=C(C=C1)C#N |
Product Overview
Ethyl 4-Cyanocinnamate (CAS 6265-53-8), with molecular formula C12H11NO2 and molecular weight 201.08 g/mol. IUPAC: ethyl (E)-3-(4-cyanophenyl)prop-2-enoate.
Chemical Property Profile of Ethyl 4-Cyanocinnamate
Property Insights of Ethyl 4-Cyanocinnamate
The XLogP value of 2.13458 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 4-Cyanocinnamate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 4-Cyanocinnamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 4-Cyanocinnamate 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 4-Cyanocinnamate?
The CAS number of Ethyl 4-Cyanocinnamate is 6265-53-8.
What is the molecular formula of Ethyl 4-Cyanocinnamate?
The molecular formula of Ethyl 4-Cyanocinnamate is C12H11NO2.
What is the molecular weight of Ethyl 4-Cyanocinnamate?
The molecular weight of Ethyl 4-Cyanocinnamate is 201.08 g/mol.
Where can I buy Ethyl 4-Cyanocinnamate?
You can request a quote for Ethyl 4-Cyanocinnamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 4-Cyanocinnamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 4-Cyanocinnamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.