Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate
TL;DR: Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate (CAS 41877-90-1) is a chemical compound with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate
Also Known As: ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate, ethyl 5-chloro-2-cyano-5-phenyl-2,4-pentadienoate
| Molecular Formula | C14H12ClNO2 |
|---|---|
| Molecular Weight | 261.06 g/mol |
| LogP | 3.27938 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 261.05566 |
| Heavy Atoms | 18 |
| Complexity | 512.3456 |
Chemical Identifiers
| CAS Number | 41877-90-1 |
|---|---|
| SMILES | CCOC(=O)C(=CC=C(C1=CC=CC=C1)Cl)C#N |
Product Overview
Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate (CAS 41877-90-1), with molecular formula C14H12ClNO2 and molecular weight 261.06 g/mol. IUPAC: ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate.
Chemical Property Profile of Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate
Property Insights of Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate
The XLogP value of 3.27938 indicates that Ethyl 5-chloro-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 50.09 Ų, Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 5-chloro-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 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate?
The CAS number of Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate is 41877-90-1.
What is the molecular formula of Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate?
The molecular formula of Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate is C14H12ClNO2.
What is the molecular weight of Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate?
The molecular weight of Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate is 261.06 g/mol.
Where can I buy Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate?
You can request a quote for Ethyl 5-chloro-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 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 5-chloro-2-cyano-5-phenylpenta-2,4-dienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.