TL;DR: 1-(4-(5-Chloro-2-methylphenyl)piperazinyl)-2-phenoxyethan-1-one (CAS 1119391-88-6) is a chemical compound with molecular formula C19H21ClN2O2 and molecular weight 344.12915 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]-2-phenoxyethanone
Also Known As: 1-(4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINYL)-2-PHENOXYETHAN-1-ONE, 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-phenoxyethanone, 1-[4-(5-chloro-2-methylphenyl)piperazin-1-yl]-2-phenoxyethan-1-one, 1-[4-(5-chloro-2-methyl-phenyl)piperazin-1-yl]-2-phenoxy-ethanone
| Molecular Formula | C19H21ClN2O2 |
| Molecular Weight | 344.12915 g/mol |
| XLogP | 4.0 |
| Topological Polar Surface Area (TPSA) | 32.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 344.12915 Da |
| Heavy Atoms | 24 |
| Complexity | 406.0 |
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)COC3=CC=CC=C3 |
| InChIKey | ICEPHMLELVXDMW-UHFFFAOYSA-N |
The XLogP value of 4.0 indicates that 1-(4-(5-Chloro-2-methylphenyl)piperazinyl)-2-phenoxyethan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.8 Ų, 1-(4-(5-Chloro-2-methylphenyl)piperazinyl)-2-phenoxyethan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-(5-Chloro-2-methylphenyl)piperazinyl)-2-phenoxyethan-1-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 1-(4-(5-Chloro-2-methylphenyl)piperazinyl)-2-phenoxyethan-1-one is 1119391-88-6.
The molecular formula of 1-(4-(5-Chloro-2-methylphenyl)piperazinyl)-2-phenoxyethan-1-one is C19H21ClN2O2.
The molecular weight of 1-(4-(5-Chloro-2-methylphenyl)piperazinyl)-2-phenoxyethan-1-one is 344.12915 g/mol.
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