4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol
TL;DR: 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol (CAS 143759-66-4) is a chemical compound with molecular formula C29H34F2N2OS and molecular weight 496.236 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-phenylsulfanylpropan-2-ol
Also Known As: 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol, J1.766.505G, 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-phenylthiopropyl)piperazine, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, 1-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-3-(phenylsulfanyl)propan-2-ol
Technical Specifications
| Molecular Formula | C29H34F2N2OS |
| Molecular Weight | 496.236 g/mol |
| XLogP | 6.0 |
| Topological Polar Surface Area (TPSA) | 52.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 11 |
| Exact Mass | 496.236 Da |
| Heavy Atoms | 35 |
| Complexity | 547.0 |
| SMILES | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CSC4=CC=CC=C4)O |
| InChIKey | KMONIWZOMQQSPR-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol
Property Insights of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol
The XLogP value of 6.0 indicates that 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.0 Ų, 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol has 1 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 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol?
The CAS number of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol is 143759-66-4.
What is the molecular formula of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol?
The molecular formula of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol is C29H34F2N2OS.
What is the molecular weight of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol?
The molecular weight of 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol is 496.236 g/mol.
Where can I buy 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol?
You can request a quote for 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol?
Yes, CoreyChem provides custom synthesis services for 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-1-piperazineethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.