2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid
TL;DR: 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid (CAS 108260-26-0) is a chemical compound with molecular formula C12H13ClN2O2 and molecular weight 252.06656 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanamide
Also Known As: alpha-(2-(4-Chlorophenyl)-2-oxoethyl)-1-aziridineacetamide, 2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanamide, 1-Aziridineacetamide, a-[2-(4-chlorophenyl)-2-oxoethyl]-, 1-AZIRIDINEACETAMIDE, alpha-(2-(4-CHLOROPHENYL)-2-OXOETHYL)-, 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid
Technical Specifications
| Molecular Formula | C12H13ClN2O2 |
| Molecular Weight | 252.06656 g/mol |
| XLogP | 1.0 |
| Topological Polar Surface Area (TPSA) | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.06656 Da |
| Heavy Atoms | 17 |
| Complexity | 310.0 |
| SMILES | C1CN1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)N |
| InChIKey | VDEHRUCDOJUIDA-UHFFFAOYSA-N |
Chemical Property Profile of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid
Property Insights of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid. Following Lipinski's Rule of Five, 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-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)-4-oxobutanimidic acid?
The CAS number of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid is 108260-26-0.
What is the molecular formula of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid?
The molecular formula of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid is C12H13ClN2O2.
What is the molecular weight of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid?
The molecular weight of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid is 252.06656 g/mol.
Where can I buy 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid?
You can request a quote for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-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)-4-oxobutanimidic acid?
Yes, CoreyChem provides custom synthesis services for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxobutanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.