2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid
TL;DR: 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid (CAS 116356-05-9) is a chemical compound with molecular formula C18H17ClN2O2 and molecular weight 328.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanamide
Also Known As: alpha-Aziridinyl-beta(p-chlorobenzoyl)propionic acid anilide, alpha-(2-(4-Chlorophenyl)-2-oxoethyl)-N-phenyl-1-aziridineacetamide, 1-Aziridineacetamide, alpha-(2-(4-chlorophenyl)-2-oxoethyl)-N-phenyl-, 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid, 2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanamide
| Molecular Formula | C18H17ClN2O2 |
|---|---|
| Molecular Weight | 328.10 g/mol |
| LogP | 3.2357 |
| Topological Polar Surface Area | 49.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 328.09787 |
| Heavy Atoms | 23 |
| Complexity | 696.7213 |
Chemical Identifiers
| CAS Number | 116356-05-9 |
|---|---|
| SMILES | C1CN1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=CC=C3 |
Product Overview
2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid (CAS 116356-05-9), with molecular formula C18H17ClN2O2 and molecular weight 328.10 g/mol. IUPAC: 2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanamide.
Chemical Property Profile of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid
Property Insights of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid
The XLogP value of 3.2357 indicates that 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.18 Ų, 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic 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
Frequently Asked Questions
What is the CAS number of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid?
The CAS number of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid is 116356-05-9.
What is the molecular formula of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid?
The molecular formula of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid is C18H17ClN2O2.
What is the molecular weight of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid?
The molecular weight of 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid is 328.10 g/mol.
Where can I buy 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid?
You can request a quote for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(Aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-phenylbutanimidic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.