1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl
TL;DR: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl (CAS 143759-95-9) is a chemical compound with molecular formula C29H36Cl2F2N2O2S and molecular weight 584.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropyl]sulfanylphenol;dihydrochloride
Also Known As: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((4-hydroxyphenyl)thio)methyl)-,dihydrochloride, 4-[(3-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-2-hydroxypropyl)sulfanyl]phenol--hydrogen chloride (1/2), 4-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropyl]sulfanylphenol dihydrochloride, RefChem:233797
| Molecular Formula | C29H36Cl2F2N2O2S |
|---|---|
| Molecular Weight | 584.18 g/mol |
| LogP | 6.1969 |
| Topological Polar Surface Area | 46.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 584.18427 |
| Heavy Atoms | 38 |
| Complexity | 1021.94604 |
Chemical Identifiers
| CAS Number | 143759-95-9 |
|---|---|
| SMILES | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CSC4=CC=C(C=C4)O)O.Cl.Cl |
Product Overview
1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl (CAS 143759-95-9), with molecular formula C29H36Cl2F2N2O2S and molecular weight 584.18 g/mol. IUPAC: 4-[3-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-2-hydroxypropyl]sulfanylphenol;dihydrochloride.
Chemical Property Profile of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl
Property Insights of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl
The XLogP value of 6.1969 indicates that 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.94 Ų, 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)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-hydroxyphenylthio)propyl)piperazine 2HCl has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl?
The CAS number of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl is 143759-95-9.
What is the molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl?
The molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl is C29H36Cl2F2N2O2S.
What is the molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl?
The molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl is 584.18 g/mol.
Where can I buy 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl?
You can request a quote for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-hydroxyphenylthio)propyl)piperazine 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.