1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl
TL;DR: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl (CAS 143759-76-6) is a chemical compound with molecular formula C30H38Cl2F2N2OS and molecular weight 582.205 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-(4-methylphenyl)sulfanylpropan-2-ol;dihydrochloride
Also Known As: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((4-methylphenyl)thio)methyl)-, dihydrochloride, 1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(4-methylphenyl)sulfanylpropan-2-ol dihydrochloride, 1-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-3-[(4-methylphenyl)sulfanyl]propan-2-ol--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C30H38Cl2F2N2OS |
| Molecular Weight | 582.205 g/mol |
| XLogP | 6.79972 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 582.205 Da |
| Heavy Atoms | 38 |
| Complexity | 574.0 |
| SMILES | CC1=CC=C(C=C1)SCC(CN2CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)O.Cl.Cl |
| InChIKey | CRCBUAGPPKULPJ-UHFFFAOYSA-N |
Chemical Property Profile of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl
Property Insights of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl
The XLogP value of 6.79972 indicates that 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl 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-(4-methylphenylthio)propyl)piperazine 2HCl 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-(4-methylphenylthio)propyl)piperazine 2HCl has 3 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl?
The CAS number of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl is 143759-76-6.
What is the molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl?
The molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl is C30H38Cl2F2N2OS.
What is the molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl?
The molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl is 582.205 g/mol.
Where can I buy 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl?
You can request a quote for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl?
Yes, CoreyChem provides custom synthesis services for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-methylphenylthio)propyl)piperazine 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.