![Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate structure](/static/products/3389/338960-10-4.webp)
Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate
TL;DR: Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate (CAS 338960-10-4) is a chemical compound with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-4-(3,5-dimethylanilino)-2-oxobut-3-enoate
Also Known As: ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate, ethyl 3-cyano-4-(3,5-dimethylanilino)-2-oxo-3-butenoate, ethyl 3-cyano-4-(3,5-dimethylanilino)-2-oxobut-3-enoate
| Molecular Formula | C15H16N2O3 |
|---|---|
| Molecular Weight | 272.12 g/mol |
| LogP | 2.25502 |
| Topological Polar Surface Area | 79.19 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 272.1161 |
| Heavy Atoms | 20 |
| Complexity | 577.37646 |
Chemical Identifiers
| CAS Number | 338960-10-4 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(=CNC1=CC(=CC(=C1)C)C)C#N |
Product Overview
Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate (CAS 338960-10-4), with molecular formula C15H16N2O3 and molecular weight 272.12 g/mol. IUPAC: ethyl 3-cyano-4-(3,5-dimethylanilino)-2-oxobut-3-enoate.
Chemical Property Profile of Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate
Property Insights of Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate
The XLogP value of 2.25502 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate. The TPSA of 79.19 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate. Following Lipinski's Rule of Five, Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate has 1 hydrogen bond donor(s) and 5 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 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate?
The CAS number of Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate is 338960-10-4.
What is the molecular formula of Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate?
The molecular formula of Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate is C15H16N2O3.
What is the molecular weight of Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate?
The molecular weight of Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate is 272.12 g/mol.
Where can I buy Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate?
You can request a quote for Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-4-[(3,5-dimethylphenyl)amino]-2-oxobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.