Ethyl 2-cyano-5-phenylpenta-2,4-dienoate
TL;DR: Ethyl 2-cyano-5-phenylpenta-2,4-dienoate (CAS 24139-56-8) 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 2-cyano-5-phenylpenta-2,4-dienoate
Also Known As: NCIOpen2_004985, ethyl 2-cyano-5-phenylpenta-2,4-dienoate, 1-09-00-00397 (Beilstein Handbook Reference), 2,4-Pentadienoic acid, 2-cyano-5-phenyl-, ethyl ester, 2-Cyano-5-phenyl-2,4-pentadienoic acid ethyl ester
| Molecular Formula | C14H13NO2 |
|---|---|
| Molecular Weight | 227.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 227.09464 |
| Heavy Atoms | 17 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 24139-56-8 |
|---|---|
| SMILES | CCOC(=O)C(=CC=CC1=CC=CC=C1)C#N |
| InChIKey | LXDIOTPAZODMST-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-5-phenylpenta-2,4-dienoate (CAS 24139-56-8), with molecular formula C14H13NO2 and molecular weight 227.09 g/mol. IUPAC: ethyl 2-cyano-5-phenylpenta-2,4-dienoate.
Chemical Property Profile of Ethyl 2-cyano-5-phenylpenta-2,4-dienoate
Property Insights of Ethyl 2-cyano-5-phenylpenta-2,4-dienoate
The XLogP value of 3.1 indicates that Ethyl 2-cyano-5-phenylpenta-2,4-dienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl 2-cyano-5-phenylpenta-2,4-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-5-phenylpenta-2,4-dienoate 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-cyano-5-phenylpenta-2,4-dienoate?
The CAS number of Ethyl 2-cyano-5-phenylpenta-2,4-dienoate is 24139-56-8.
What is the molecular formula of Ethyl 2-cyano-5-phenylpenta-2,4-dienoate?
The molecular formula of Ethyl 2-cyano-5-phenylpenta-2,4-dienoate is C14H13NO2.
What is the molecular weight of Ethyl 2-cyano-5-phenylpenta-2,4-dienoate?
The molecular weight of Ethyl 2-cyano-5-phenylpenta-2,4-dienoate is 227.09 g/mol.
Where can I buy Ethyl 2-cyano-5-phenylpenta-2,4-dienoate?
You can request a quote for Ethyl 2-cyano-5-phenylpenta-2,4-dienoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-5-phenylpenta-2,4-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-5-phenylpenta-2,4-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.