ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate
TL;DR: ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate (CAS 1164563-01-2) is a chemical compound with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl (E)-2-cyano-4-(1-propyl-4-pyridinylidene)but-2-enoate
Also Known As: ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate, (E)-2-Cyano-4-(1-propyl-1H-pyridin-4-ylidene)-but-2-enoic acid ethyl ester, (E)-ethyl 2-cyano-4-(1-propylpyridin-4(1H)-ylidene)but-2-enoate, ethyl (2E)-2-cyano-4-(1-propylpyridin-4(1H)-ylidene)but-2-enoate, (E)-2-cyano-4-(1-propyl-4-pyridinylidene)-2-butenoic acid ethyl ester
| Molecular Formula | C15H18N2O2 |
|---|---|
| Molecular Weight | 258.14 g/mol |
| LogP | 2.67888 |
| Topological Polar Surface Area | 53.33 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 258.13684 |
| Heavy Atoms | 19 |
| Complexity | 462.86426 |
Chemical Identifiers
| CAS Number | 1164563-01-2 |
|---|---|
| SMILES | CCCN1C=CC(=C/C=C(\C#N)/C(=O)OCC)C=C1 |
Product Overview
ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate (CAS 1164563-01-2), with molecular formula C15H18N2O2 and molecular weight 258.14 g/mol. IUPAC: ethyl (E)-2-cyano-4-(1-propyl-4-pyridinylidene)but-2-enoate.
Chemical Property Profile of ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate
Property Insights of ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate
The XLogP value of 2.67888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate. With a topological polar surface area (TPSA) of 53.33 Ų, ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-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 (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate?
The CAS number of ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate is 1164563-01-2.
What is the molecular formula of ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate?
The molecular formula of ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate is C15H18N2O2.
What is the molecular weight of ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate?
The molecular weight of ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate is 258.14 g/mol.
Where can I buy ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate?
You can request a quote for ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-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 (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for ethyl (E)-2-cyano-4-(1-propylpyridin-4-ylidene)but-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.