![Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate structure](/static/products/1164/1164478-54-9.webp)
Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate
TL;DR: Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate (CAS 1164478-54-9) is a chemical compound with molecular formula C13H11ClN2O3 and molecular weight 278.0458 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-(4-chloroanilino)-3-cyano-2-oxobut-3-enoate
Also Known As: ethyl 4-(4-chloroanilino)-3-cyano-2-oxo-3-butenoate, ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate, ethyl 4-(4-chloroanilino)-3-cyano-2-oxobut-3-enoate
Technical Specifications
| Molecular Formula | C13H11ClN2O3 |
| Molecular Weight | 278.0458 g/mol |
| XLogP | 3.3 |
| Topological Polar Surface Area (TPSA) | 79.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.0458 Da |
| Heavy Atoms | 19 |
| Complexity | 417.0 |
| SMILES | CCOC(=O)C(=O)C(=CNC1=CC=C(C=C1)Cl)C#N |
| InChIKey | RDSLLTOXOSRSPR-UHFFFAOYSA-N |
Chemical Property Profile of Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate
Property Insights of Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate
The XLogP value of 3.3 indicates that Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate. Following Lipinski's Rule of Five, Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-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
What is the CAS number of Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate?
The CAS number of Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate is 1164478-54-9.
What is the molecular formula of Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate?
The molecular formula of Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate is C13H11ClN2O3.
What is the molecular weight of Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate?
The molecular weight of Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate is 278.0458 g/mol.
Where can I buy Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate?
You can request a quote for Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate?
Yes, CoreyChem provides custom synthesis services for Ethyl 4-[(4-chlorophenyl)amino]-3-cyano-2-oxobut-3-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.