3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester
TL;DR: 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester (CAS 14505-28-3) is a chemical compound with molecular formula C14H15NO2 and molecular weight 229.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-3-(4-methylphenyl)but-2-enoate
Also Known As: ethyl 2-cyano-3-p-tolylbut-2-enoate, Ethyl 2-cyano-3-(4-methylphenyl)but-2-enoate, 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester, 1H-PYRAZOLE, 1-(TETRAHYDRO-2H-PYRAN-2-YL)-5-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)-
| Molecular Formula | C14H15NO2 |
|---|---|
| Molecular Weight | 229.11 g/mol |
| LogP | 2.8552 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 229.11028 |
| Heavy Atoms | 17 |
| Complexity | 477.93884 |
Chemical Identifiers
| CAS Number | 14505-28-3 |
|---|---|
| SMILES | CCOC(=O)C(=C(C)C1=CC=C(C=C1)C)C#N |
Product Overview
3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester (CAS 14505-28-3), with molecular formula C14H15NO2 and molecular weight 229.11 g/mol. IUPAC: ethyl 2-cyano-3-(4-methylphenyl)but-2-enoate.
Chemical Property Profile of 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester
Property Insights of 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester
The XLogP value of 2.8552 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester. With a topological polar surface area (TPSA) of 50.09 Ų, 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester 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 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester?
The CAS number of 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester is 14505-28-3.
What is the molecular formula of 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester?
The molecular formula of 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester is C14H15NO2.
What is the molecular weight of 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester?
The molecular weight of 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester is 229.11 g/mol.
Where can I buy 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester?
You can request a quote for 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-Methylphenyl)-2-cyano-but-2-enoic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.