1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl
TL;DR: 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl (CAS 143759-71-1) is a chemical compound with molecular formula C31H38Cl2F2N2O2S and molecular weight 610.1999 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-yl] acetate;dihydrochloride
Also Known As: 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-((phenylthio)methyl)-, acetate(ester), dihydrochloride, [1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-yl] acetate dihydrochloride, 1-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-3-(phenylsulfanyl)propan-2-yl acetate--hydrogen chloride (1/2)
Technical Specifications
| Molecular Formula | C31H38Cl2F2N2O2S |
| Molecular Weight | 610.1999 g/mol |
| XLogP | 7.0621 |
| Topological Polar Surface Area (TPSA) | 58.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 13 |
| Exact Mass | 610.1999 Da |
| Heavy Atoms | 40 |
| Complexity | 649.0 |
| SMILES | CC(=O)OC(CN1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CSC4=CC=CC=C4.Cl.Cl |
| InChIKey | KJGPFEDWRBDFFE-UHFFFAOYSA-N |
Chemical Property Profile of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl
Property Insights of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl
The XLogP value of 7.0621 indicates that 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.1 Ų, 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl 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 2HCl has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl?
The CAS number of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl is 143759-71-1.
What is the molecular formula of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl?
The molecular formula of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl is C31H38Cl2F2N2O2S.
What is the molecular weight of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl?
The molecular weight of 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl is 610.1999 g/mol.
Where can I buy 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl?
You can request a quote for 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl?
Yes, CoreyChem provides custom synthesis services for 1-(2-Acetoxy-3-phenylthiopropyl)-4-(4,4-bis(4-fluorophenyl)butyl)piperazine 2HCl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.