TL;DR: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(3-phenylpropylthio)propyl)piperazine (CAS 143760-20-7) is a chemical compound with molecular formula C32H40F2N2OS and molecular weight 538.28296 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(3-phenylpropylsulfanyl)propan-2-ol
Also Known As: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(3-phenylpropylthio)propyl)piperazine, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((3-phenylpropyl)thio)methyl)-, 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-(((3-phenylpropyl)thio)methyl)-1-piperazineethanol, 1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(3-phenylpropylsulfanyl)propan-2-ol, 1-{4-[4,4-BIS(4-FLUOROPHENYL)BUTYL]PIPERAZIN-1-YL}-3-[(3-PHENYLPROPYL)SULFANYL]PROPAN-2-OL
| Molecular Formula | C32H40F2N2OS |
| Molecular Weight | 538.28296 g/mol |
| XLogP | 6.7 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 14 |
| Exact Mass | 538.28296 Da |
| Heavy Atoms | 38 |
| Complexity | 591.0 |
| SMILES | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CSCCCC4=CC=CC=C4)O |
| InChIKey | LQWSAZMHPWNXAG-UHFFFAOYSA-N |
The XLogP value of 6.7 indicates that 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(3-phenylpropylthio)propyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(3-phenylpropylthio)propyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(3-phenylpropylthio)propyl)piperazine has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(3-phenylpropylthio)propyl)piperazine is 143760-20-7.
The molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(3-phenylpropylthio)propyl)piperazine is C32H40F2N2OS.
The molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(3-phenylpropylthio)propyl)piperazine is 538.28296 g/mol.
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