TL;DR: N-[(E)-(4-chloro-3-nitrophenyl)methylidene]-4-(4-methylbenzyl)-1-piperazinamine (CAS 315223-25-7) is a chemical compound with molecular formula C19H21ClN4O2 and molecular weight 372.1353 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E)-1-(4-chloro-3-nitrophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
Also Known As: BAS 01809696, (4-Chloro-3-nitro-benzylidene)-[4-(4-methyl-benzyl)-piperazin-1-yl]-amine, (E)-N-(4-chloro-3-nitrobenzylidene)-4-(4-methylbenzyl)piperazin-1-amine, (E)-1-(4-chloro-3-nitrophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine, 1-(4-chloro-3-nitrophenyl)-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]methanimine
| Molecular Formula | C19H21ClN4O2 |
| Molecular Weight | 372.1353 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 372.1353 Da |
| Heavy Atoms | 26 |
| Complexity | 482.0 |
| SMILES | CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-] |
| InChIKey | PPSVWPVMRLUHQD-FYJGNVAPSA-N |
The XLogP value of 4.2 indicates that N-[(E)-(4-chloro-3-nitrophenyl)methylidene]-4-(4-methylbenzyl)-1-piperazinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[(E)-(4-chloro-3-nitrophenyl)methylidene]-4-(4-methylbenzyl)-1-piperazinamine. Following Lipinski's Rule of Five, N-[(E)-(4-chloro-3-nitrophenyl)methylidene]-4-(4-methylbenzyl)-1-piperazinamine has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of N-[(E)-(4-chloro-3-nitrophenyl)methylidene]-4-(4-methylbenzyl)-1-piperazinamine is 315223-25-7.
The molecular formula of N-[(E)-(4-chloro-3-nitrophenyl)methylidene]-4-(4-methylbenzyl)-1-piperazinamine is C19H21ClN4O2.
The molecular weight of N-[(E)-(4-chloro-3-nitrophenyl)methylidene]-4-(4-methylbenzyl)-1-piperazinamine is 372.1353 g/mol.
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