2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-
TL;DR: 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano- (CAS 126245-52-1) is a chemical compound with molecular formula C11H8ClN3O2 and molecular weight 249.0305 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-carbamoyl-3-(4-chlorophenyl)-2-cyanoprop-2-enamide
Also Known As: N-benzyl-N'-cyanoacetylurea, N-carbamoyl-3-(4-chlorophenyl)-2-cyanoprop-2-enamide, 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-
Technical Specifications
| Molecular Formula | C11H8ClN3O2 |
| Molecular Weight | 249.0305 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 96.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 249.0305 Da |
| Heavy Atoms | 17 |
| Complexity | 389.0 |
| SMILES | C1=CC(=CC=C1C=C(C#N)C(=O)NC(=O)N)Cl |
| InChIKey | TULDSTUSTBAXAC-UHFFFAOYSA-N |
Chemical Property Profile of 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-
Property Insights of 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-. The TPSA of 96.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-. Following Lipinski's Rule of Five, 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano- 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 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-?
The CAS number of 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano- is 126245-52-1.
What is the molecular formula of 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-?
The molecular formula of 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano- is C11H8ClN3O2.
What is the molecular weight of 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-?
The molecular weight of 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano- is 249.0305 g/mol.
Where can I buy 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-?
You can request a quote for 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano-?
Yes, CoreyChem provides custom synthesis services for 2-Propenamide, N-(aminocarbonyl)-3-(4-chlorophenyl)-2-cyano- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.