TL;DR: Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)- (CAS 143759-68-6) is a chemical compound with molecular formula C30H36F2N2OS and molecular weight 510.25165 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methoxy-3-phenylsulfanylpropyl)piperazine
Also Known As: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-phenylthiopropyl)piperazine, J1.766.507C, Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)-, 1-[4,4-Bis(4-fluorophenyl)butyl]-4-[2-methoxy-3-(phenylsulfanyl)propyl]piperazine, 1-[4,4-bis(4-fluorophenyl)butyl]-4-(2-methoxy-3-phenylsulfanylpropyl)piperazine
| Molecular Formula | C30H36F2N2OS |
| Molecular Weight | 510.25165 g/mol |
| XLogP | 6.5 |
| Topological Polar Surface Area (TPSA) | 41.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 510.25165 Da |
| Heavy Atoms | 36 |
| Complexity | 561.0 |
| SMILES | COC(CN1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CSC4=CC=CC=C4 |
| InChIKey | MLTMTBFVYXFOGY-UHFFFAOYSA-N |
The XLogP value of 6.5 indicates that Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.0 Ų, Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)- has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)- is 143759-68-6.
The molecular formula of Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)- is C30H36F2N2OS.
The molecular weight of Piperazine 1-(4,4-bis(4-fluorophenyl)butyl)-4-(2-methoxy-3-(phenylthio)propyl)- is 510.25165 g/mol.
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