TL;DR: Piperazine, 1-(((2-benzoyl-4-nitrophenyl)amino)acetyl)-4-phenyl- (CAS 103022-90-8) is a chemical compound with molecular formula C25H24N4O4 and molecular weight 444.17975 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(2-benzoyl-4-nitroanilino)-1-(4-phenylpiperazin-1-yl)ethanone
Also Known As: Piperazine, 1-(((2-benzoyl-4-nitrophenyl)amino)acetyl)-4-phenyl-, 1-(((2-Benzoyl-4-nitrophenyl)amino)acetyl)-4-phenylpiperazine, 2-(2-benzoyl-4-nitroanilino)-1-(4-phenylpiperazin-1-yl)ethanone, 2-(2-Benzoyl-4-nitroanilino)-1-(4-phenylpiperazin-1-yl)ethan-1-one
| Molecular Formula | C25H24N4O4 |
| Molecular Weight | 444.17975 g/mol |
| XLogP | 4.7 |
| Topological Polar Surface Area (TPSA) | 98.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 444.17975 Da |
| Heavy Atoms | 33 |
| Complexity | 676.0 |
| SMILES | C1CN(CCN1C2=CC=CC=C2)C(=O)CNC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)C4=CC=CC=C4 |
| InChIKey | UTELIRRCGKXVEN-UHFFFAOYSA-N |
The XLogP value of 4.7 indicates that Piperazine, 1-(((2-benzoyl-4-nitrophenyl)amino)acetyl)-4-phenyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Piperazine, 1-(((2-benzoyl-4-nitrophenyl)amino)acetyl)-4-phenyl-. Following Lipinski's Rule of Five, Piperazine, 1-(((2-benzoyl-4-nitrophenyl)amino)acetyl)-4-phenyl- has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of Piperazine, 1-(((2-benzoyl-4-nitrophenyl)amino)acetyl)-4-phenyl- is 103022-90-8.
The molecular formula of Piperazine, 1-(((2-benzoyl-4-nitrophenyl)amino)acetyl)-4-phenyl- is C25H24N4O4.
The molecular weight of Piperazine, 1-(((2-benzoyl-4-nitrophenyl)amino)acetyl)-4-phenyl- is 444.17975 g/mol.
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