TL;DR: 3-(3,4-DICHLOROPHENYL)-1-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)PROP-2-EN-1-ONE (CAS 1025668-23-8) is a chemical compound with molecular formula C20H19Cl3N2O and molecular weight 408.0563 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,4-dichlorophenyl)prop-2-en-1-one
Also Known As: 3-(3,4-DICHLOROPHENYL)-1-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)PROP-2-EN-1-ONE, 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-3-(3,4-dichlorophenyl)prop-2-en-1-one, 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-3-(3,4-dichlorophenyl)prop-2-en-1-one, C20H19Cl3N2O
| Molecular Formula | C20H19Cl3N2O |
| Molecular Weight | 408.0563 g/mol |
| XLogP | 5.6 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 408.0563 Da |
| Heavy Atoms | 26 |
| Complexity | 507.0 |
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C=CC3=CC(=C(C=C3)Cl)Cl |
| InChIKey | ZVPLONNQICYKMP-UHFFFAOYSA-N |
The XLogP value of 5.6 indicates that 3-(3,4-DICHLOROPHENYL)-1-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)PROP-2-EN-1-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.6 Ų, 3-(3,4-DICHLOROPHENYL)-1-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)PROP-2-EN-1-ONE exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(3,4-DICHLOROPHENYL)-1-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)PROP-2-EN-1-ONE has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 3-(3,4-DICHLOROPHENYL)-1-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)PROP-2-EN-1-ONE is 1025668-23-8.
The molecular formula of 3-(3,4-DICHLOROPHENYL)-1-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)PROP-2-EN-1-ONE is C20H19Cl3N2O.
The molecular weight of 3-(3,4-DICHLOROPHENYL)-1-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)PROP-2-EN-1-ONE is 408.0563 g/mol.
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