1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl
TL;DR: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl (CAS 143760-33-2) is a chemical compound with molecular formula C36H40Cl2F2N2O2S and molecular weight 672.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-yl] benzoate;dihydrochloride
Also Known As: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, benzoate (ester), dihydrochloride, [1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-yl] benzoate dihydrochloride, 1-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-3-(phenylsulfanyl)propan-2-yl benzoate--hydrogen chloride (1/2), RefChem:233820
| Molecular Formula | C36H40Cl2F2N2O2S |
|---|---|
| Molecular Weight | 672.22 g/mol |
| LogP | 8.356 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 13 |
| Exact Mass | 672.2156 |
| Heavy Atoms | 45 |
| Complexity | 1363.4453 |
Chemical Identifiers
| CAS Number | 143760-33-2 |
|---|---|
| SMILES | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CSC4=CC=CC=C4)OC(=O)C5=CC=CC=C5.Cl.Cl |
Product Overview
1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl (CAS 143760-33-2), with molecular formula C36H40Cl2F2N2O2S and molecular weight 672.22 g/mol. IUPAC: [1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-yl] benzoate;dihydrochloride.
Chemical Property Profile of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl
Property Insights of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl
The XLogP value of 8.356 indicates that 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 32.78 Ų, 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)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-benzoxy-3-phenylthiopropyl)piperazine 2HCl has 0 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-benzoxy-3-phenylthiopropyl)piperazine 2HCl?
The CAS number of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl is 143760-33-2.
What is the molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl?
The molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl is C36H40Cl2F2N2O2S.
What is the molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl?
The molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl is 672.22 g/mol.
Where can I buy 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl?
You can request a quote for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)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-benzoxy-3-phenylthiopropyl)piperazine 2HCl?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-benzoxy-3-phenylthiopropyl)piperazine 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.