TL;DR: (E)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine (CAS 306988-73-8) is a chemical compound with molecular formula C21H24ClN3 and molecular weight 353.16586 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(E,E)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine
Also Known As: (E)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine, (E)-N-((E)-2-chloro-3-phenylallylidene)-4-(4-methylbenzyl)piperazin-1-amine, N-[(1E,2E)-2-chloro-3-phenylprop-2-en-1-ylidene]-4-(4-methylbenzyl)piperazin-1-amine
| Molecular Formula | C21H24ClN3 |
| Molecular Weight | 353.16586 g/mol |
| XLogP | 5.1 |
| Topological Polar Surface Area (TPSA) | 18.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 353.16586 Da |
| Heavy Atoms | 25 |
| Complexity | 440.0 |
| SMILES | CC1=CC=C(C=C1)CN2CCN(CC2)/N=C/C(=C\C3=CC=CC=C3)/Cl |
| InChIKey | PNSAUKMYIUBZGE-OIYSJFPPSA-N |
The XLogP value of 5.1 indicates that (E)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.8 Ų, (E)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of (E)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine is 306988-73-8.
The molecular formula of (E)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine is C21H24ClN3.
The molecular weight of (E)-2-chloro-N-[4-[(4-methylphenyl)methyl]piperazin-1-yl]-3-phenylprop-2-en-1-imine is 353.16586 g/mol.
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