![Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate structure](/static/products/3389/338959-95-8.webp)
Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate
TL;DR: Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate (CAS 338959-95-8) is a chemical compound with molecular formula C14H11N3O3 and molecular weight 269.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-cyano-4-(4-cyanoanilino)-2-oxobut-3-enoate
Also Known As: ethyl 3-cyano-4-(4-cyanoanilino)-2-oxo-3-butenoate, ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate, ethyl 3-cyano-4-(4-cyanoanilino)-2-oxobut-3-enoate
| Molecular Formula | C14H11N3O3 |
|---|---|
| Molecular Weight | 269.08 g/mol |
| LogP | 1.50986 |
| Topological Polar Surface Area | 102.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 269.08005 |
| Heavy Atoms | 20 |
| Complexity | 618.5496 |
Chemical Identifiers
| CAS Number | 338959-95-8 |
|---|---|
| SMILES | CCOC(=O)C(=O)C(=CNC1=CC=C(C=C1)C#N)C#N |
Product Overview
Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate (CAS 338959-95-8), with molecular formula C14H11N3O3 and molecular weight 269.08 g/mol. IUPAC: ethyl 3-cyano-4-(4-cyanoanilino)-2-oxobut-3-enoate.
Chemical Property Profile of Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate
Property Insights of Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate
The XLogP value of 1.50986 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate. The TPSA of 102.98 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate. Following Lipinski's Rule of Five, Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate has 1 hydrogen bond donor(s) and 6 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-[(4-cyanophenyl)amino]-2-oxobut-3-enoate?
The CAS number of Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate is 338959-95-8.
What is the molecular formula of Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate?
The molecular formula of Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate is C14H11N3O3.
What is the molecular weight of Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate?
The molecular weight of Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate is 269.08 g/mol.
Where can I buy Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate?
You can request a quote for Ethyl 3-cyano-4-[(4-cyanophenyl)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-[(4-cyanophenyl)amino]-2-oxobut-3-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyano-4-[(4-cyanophenyl)amino]-2-oxobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.