1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine
TL;DR: 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine (CAS 143759-70-0) is a chemical compound with molecular formula C31H36F2N2O2S and molecular weight 538.25 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] acetate
Also Known As: 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, acetate(ester), [1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-yl] acetate, 1-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-3-(phenylsulfanyl)propan-2-yl acetate, RefChem:233817
| Molecular Formula | C31H36F2N2O2S |
|---|---|
| Molecular Weight | 538.25 g/mol |
| LogP | 6.2185 |
| Topological Polar Surface Area | 32.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 538.2466 |
| Heavy Atoms | 38 |
| Complexity | 1075.3811 |
Chemical Identifiers
| CAS Number | 143759-70-0 |
|---|---|
| SMILES | CC(=O)OC(CN1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CSC4=CC=CC=C4 |
Product Overview
1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine (CAS 143759-70-0), with molecular formula C31H36F2N2O2S and molecular weight 538.25 g/mol. IUPAC: [1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-yl] acetate.
Chemical Property Profile of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine
Property Insights of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine
The XLogP value of 6.2185 indicates that 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine 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-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine 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-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine?
The CAS number of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine is 143759-70-0.
What is the molecular formula of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine?
The molecular formula of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine is C31H36F2N2O2S.
What is the molecular weight of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine?
The molecular weight of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine is 538.25 g/mol.
Where can I buy 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine?
You can request a quote for 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-Bis(4-fluorophenyl)butyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.