2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid
TL;DR: 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid (CAS 116356-04-8) is a chemical compound with molecular formula C16H21ClN2O2 and molecular weight 308.12915 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanamide
Also Known As: alpha-Aziridinyl-beta-(p-chlorobenzoyl)propionic acid isobutylamide, 1-Aziridineacetamide, alpha-(2-(4-chlorophenyl)-2-oxoethyl)-N-(2-methylpropyl)-, alpha-(2-(4-Chlorophenyl)-2-oxoethyl)-N-(2-methylpropyl)-1-aziridineacetamide, 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid, 2-(aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanamide
Technical Specifications
| Molecular Formula | C16H21ClN2O2 |
| Molecular Weight | 308.12915 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 49.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 308.12915 Da |
| Heavy Atoms | 21 |
| Complexity | 374.0 |
| SMILES | CC(C)CNC(=O)C(CC(=O)C1=CC=C(C=C1)Cl)N2CC2 |
| InChIKey | GGBBMCNOGLMPAC-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid
Property Insights of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid. With a topological polar surface area (TPSA) of 49.2 Ų, 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid has 1 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-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid?
The CAS number of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid is 116356-04-8.
What is the molecular formula of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid?
The molecular formula of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid is C16H21ClN2O2.
What is the molecular weight of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid?
The molecular weight of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid is 308.12915 g/mol.
Where can I buy 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid?
You can request a quote for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-N-(2-methylpropyl)-4-oxobutanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.