Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate
TL;DR: Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate (CAS 41109-95-9) is a chemical compound with molecular formula C14H13NO2 and molecular weight 227.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (2E,4E)-2-cyano-5-phenylpenta-2,4-dienoate
Also Known As: 2-Cyano-5-phenyl-2,4-pentadienoic acid ethyl ester, ethyl (2E,4E)-2-cyano-5-phenylpenta-2,4-dienoate, ethyl 2-cyano-5-phenylpenta-2,4-dienoate, 2,4-Pentadienoic acid, 2-cyano-5-phenyl-, ethyl ester, 1-09-00-00397 (Beilstein Handbook Reference)
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 2.71288 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 466.7456 |
Chemical Identifiers
| CAS Number | 41109-95-9 |
|---|---|
| SMILES | CCOC(=O)/C(=C/C=C/C1=CC=CC=C1)/C#N |
Product Overview
Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate (CAS 41109-95-9), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: ethyl (2E,4E)-2-cyano-5-phenylpenta-2,4-dienoate.
Chemical Property Profile of Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate
Property Insights of Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate
The XLogP value of 2.71288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate 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 (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate?
The CAS number of Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate is 41109-95-9.
What is the molecular formula of Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate?
The molecular formula of Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate is C14H13NO2.
What is the molecular weight of Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate?
The molecular weight of Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate is 227.09 g/mol.
Where can I buy Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate?
You can request a quote for Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (2E,4E)-2-cyano-5-phenyl-2,4-pentadienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.