1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine
TL;DR: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine (CAS 143760-34-3) is a chemical compound with molecular formula C33H40F2N2O3S and molecular weight 582.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-yl]oxyacetate
Also Known As: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine, Acetic acid, (1-((4-(4,4-bis(4-fluorophenyl)butyl)-1-piperazinyl)methyl)-2-(phenylthio)ethoxy)-, ethyl ester, Ethyl {[1-{4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl}-3-(phenylsulfanyl)propan-2-yl]oxy}acetate, ethyl 2-[1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-yl]oxyacetate, RefChem:316096
| Molecular Formula | C33H40F2N2O3S |
|---|---|
| Molecular Weight | 582.27 g/mol |
| LogP | 6.2351 |
| Topological Polar Surface Area | 42.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 582.27277 |
| Heavy Atoms | 41 |
| Complexity | 1127.8472 |
Chemical Identifiers
| CAS Number | 143760-34-3 |
|---|---|
| SMILES | CCOC(=O)COC(CN1CCN(CC1)CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CSC4=CC=CC=C4 |
Product Overview
1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine (CAS 143760-34-3), with molecular formula C33H40F2N2O3S and molecular weight 582.27 g/mol. IUPAC: ethyl 2-[1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-phenylsulfanylpropan-2-yl]oxyacetate.
Chemical Property Profile of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine
Property Insights of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine
The XLogP value of 6.2351 indicates that 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 42.01 Ų, 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine 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-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine has 0 hydrogen bond donor(s) and 6 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-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine?
The CAS number of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine is 143760-34-3.
What is the molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine?
The molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine is C33H40F2N2O3S.
What is the molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine?
The molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine is 582.27 g/mol.
Where can I buy 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine?
You can request a quote for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine 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-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-ethoxycarbonylmethoxy-3-phenylthiopropyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.