TL;DR: 1-(4-Chlorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one (CAS 113612-10-5) is a chemical compound with molecular formula C22H25ClN2O and molecular weight 368.16553 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-(4-chlorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
Also Known As: 1-(4-chlorophenyl)-3-(4-cinnamylpiperazin-1-yl)propan-1-one, 1-(4-chlorophenyl)-3-[4-(3-phenyl-2-propenyl)piperazino]-1-propanone, 1-(4-chlorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one
| Molecular Formula | C22H25ClN2O |
| Molecular Weight | 368.16553 g/mol |
| XLogP | 4.2 |
| Topological Polar Surface Area (TPSA) | 23.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 368.16553 Da |
| Heavy Atoms | 26 |
| Complexity | 445.0 |
| SMILES | C1CN(CCN1CCC(=O)C2=CC=C(C=C2)Cl)CC=CC3=CC=CC=C3 |
| InChIKey | UKKLPCUQNNNKFA-UHFFFAOYSA-N |
The XLogP value of 4.2 indicates that 1-(4-Chlorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-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, 1-(4-Chlorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Chlorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-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-Chlorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one is 113612-10-5.
The molecular formula of 1-(4-Chlorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one is C22H25ClN2O.
The molecular weight of 1-(4-Chlorophenyl)-3-[4-(3-phenylprop-2-enyl)piperazin-1-yl]propan-1-one is 368.16553 g/mol.
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