3-(4-Chloroanilino)-2-cyano-2-butenamide
TL;DR: 3-(4-Chloroanilino)-2-cyano-2-butenamide (CAS 120651-02-7) is a chemical compound with molecular formula C11H10ClN3O and molecular weight 235.05124 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(Z)-3-(4-chloroanilino)-2-cyanobut-2-enamide
Also Known As: 3-(4-chloroanilino)-2-cyano-2-butenamide, (Z)-3-(4-chloroanilino)-2-cyanobut-2-enamide, 3-(4-chloroanilino)-2-cyanocrotonamide, (2Z)-3-[(4-chlorophenyl)amino]-2-cyanobut-2-enamide, (Z)-3-(4-chloroanilino)-2-cyano-but-2-enamide
Technical Specifications
| Molecular Formula | C11H10ClN3O |
| Molecular Weight | 235.05124 g/mol |
| XLogP | 2.4 |
| Topological Polar Surface Area (TPSA) | 78.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 235.05124 Da |
| Heavy Atoms | 16 |
| Complexity | 347.0 |
| SMILES | C/C(=C(\C#N)/C(=O)N)/NC1=CC=C(C=C1)Cl |
| InChIKey | YPKJUWVWNUJUBR-YFHOEESVSA-N |
Chemical Property Profile of 3-(4-Chloroanilino)-2-cyano-2-butenamide
Property Insights of 3-(4-Chloroanilino)-2-cyano-2-butenamide
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-Chloroanilino)-2-cyano-2-butenamide. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-Chloroanilino)-2-cyano-2-butenamide. Following Lipinski's Rule of Five, 3-(4-Chloroanilino)-2-cyano-2-butenamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-(4-Chloroanilino)-2-cyano-2-butenamide?
The CAS number of 3-(4-Chloroanilino)-2-cyano-2-butenamide is 120651-02-7.
What is the molecular formula of 3-(4-Chloroanilino)-2-cyano-2-butenamide?
The molecular formula of 3-(4-Chloroanilino)-2-cyano-2-butenamide is C11H10ClN3O.
What is the molecular weight of 3-(4-Chloroanilino)-2-cyano-2-butenamide?
The molecular weight of 3-(4-Chloroanilino)-2-cyano-2-butenamide is 235.05124 g/mol.
Where can I buy 3-(4-Chloroanilino)-2-cyano-2-butenamide?
You can request a quote for 3-(4-Chloroanilino)-2-cyano-2-butenamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-(4-Chloroanilino)-2-cyano-2-butenamide?
Yes, CoreyChem provides custom synthesis services for 3-(4-Chloroanilino)-2-cyano-2-butenamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.