TL;DR: Propiophenone, 4'-(2-hydroxy-3-(4-benzylpiperazinyl)propoxy)- (CAS 63815-44-1) is a chemical compound with molecular formula C23H30N2O3 and molecular weight 382.22565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl]propan-1-one
Also Known As: 3-(4-Benzylpiperazinyl)-1-(4-propionylphenoxy)propan-2-ol, 5-23-02-00128 (Beilstein Handbook Reference), 4'-(2-Hydroxy-3-(4-benzylpiperazinyl)propoxy)propiophenone, Propiophenone, 4'-(2-hydroxy-3-(4-benzylpiperazinyl)propoxy)-, 1-{4-[3-(4-benzylpiperazin-1-yl)-2-hydroxypropoxy]phenyl}propan-1-one
| Molecular Formula | C23H30N2O3 |
| Molecular Weight | 382.22565 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 53.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 382.22565 Da |
| Heavy Atoms | 28 |
| Complexity | 451.0 |
| SMILES | CCC(=O)C1=CC=C(C=C1)OCC(CN2CCN(CC2)CC3=CC=CC=C3)O |
| InChIKey | HPZANWHPNNPPDR-UHFFFAOYSA-N |
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propiophenone, 4'-(2-hydroxy-3-(4-benzylpiperazinyl)propoxy)-. With a topological polar surface area (TPSA) of 53.0 Ų, Propiophenone, 4'-(2-hydroxy-3-(4-benzylpiperazinyl)propoxy)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propiophenone, 4'-(2-hydroxy-3-(4-benzylpiperazinyl)propoxy)- has 1 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 Propiophenone, 4'-(2-hydroxy-3-(4-benzylpiperazinyl)propoxy)- is 63815-44-1.
The molecular formula of Propiophenone, 4'-(2-hydroxy-3-(4-benzylpiperazinyl)propoxy)- is C23H30N2O3.
The molecular weight of Propiophenone, 4'-(2-hydroxy-3-(4-benzylpiperazinyl)propoxy)- is 382.22565 g/mol.
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