1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine
TL;DR: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine (CAS 143760-22-9) is a chemical compound with molecular formula C29H33F2N3O3S and molecular weight 541.22 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-(4-nitrophenyl)sulfanylpropan-2-ol
Also Known As: 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine, 1-Piperazineethanol, 4-(4,4-bis(4-fluorophenyl)butyl)-alpha-(((4-nitrophenyl)thio)methyl)-, 4-(4,4-Bis(4-fluorophenyl)butyl)-alpha-(((4-nitrophenyl)thio)methyl)-1-piperazineethanol, 1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(4-nitrophenyl)sulfanylpropan-2-ol, 1-{4-[4,4-Bis(4-fluorophenyl)butyl]piperazin-1-yl}-3-[(4-nitrophenyl)sulfanyl]propan-2-ol
| Molecular Formula | C29H33F2N3O3S |
|---|---|
| Molecular Weight | 541.22 g/mol |
| LogP | 5.5559 |
| Topological Polar Surface Area | 69.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 541.22107 |
| Heavy Atoms | 38 |
| Complexity | 1109.6957 |
Chemical Identifiers
| CAS Number | 143760-22-9 |
|---|---|
| SMILES | C1CN(CCN1CCCC(C2=CC=C(C=C2)F)C3=CC=C(C=C3)F)CC(CSC4=CC=C(C=C4)[N+](=O)[O-])O |
Product Overview
1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine (CAS 143760-22-9), with molecular formula C29H33F2N3O3S and molecular weight 541.22 g/mol. IUPAC: 1-[4-[4,4-bis(4-fluorophenyl)butyl]piperazin-1-yl]-3-(4-nitrophenyl)sulfanylpropan-2-ol.
Chemical Property Profile of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine
Property Insights of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine
The XLogP value of 5.5559 indicates that 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine. Following Lipinski's Rule of Five, 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine has 1 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-hydroxy-3-(4-nitrophenylthio)propyl)piperazine?
The CAS number of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine is 143760-22-9.
What is the molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine?
The molecular formula of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine is C29H33F2N3O3S.
What is the molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine?
The molecular weight of 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine is 541.22 g/mol.
Where can I buy 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine?
You can request a quote for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)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-hydroxy-3-(4-nitrophenylthio)propyl)piperazine?
Yes, KEHONG BIO provides custom synthesis services for 1-(4,4-Bis(4-fluorophenyl)butyl)-4-(2-hydroxy-3-(4-nitrophenylthio)propyl)piperazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.