Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate
TL;DR: Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate (CAS 331430-71-8) is a chemical compound with molecular formula C14H16F6N3O5P and molecular weight 451.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-4-(4-nitrophenyl)piperazine
Also Known As: BAS 00405163, bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate, 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-4-(4-nitrophenyl)piperazine, [4-(4-Nitro-phenyl)-piperazin-1-yl]-phosphonic acid bis-(2,2,2-trifluoro-ethyl)
| Molecular Formula | C14H16F6N3O5P |
|---|---|
| Molecular Weight | 451.07 g/mol |
| LogP | 3.9827 |
| Topological Polar Surface Area | 85.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 451.07318 |
| Heavy Atoms | 29 |
| Complexity | 727.5948 |
Chemical Identifiers
| CAS Number | 331430-71-8 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])P(=O)(OCC(F)(F)F)OCC(F)(F)F |
Product Overview
Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate (CAS 331430-71-8), with molecular formula C14H16F6N3O5P and molecular weight 451.07 g/mol. IUPAC: 1-[bis(2,2,2-trifluoroethoxy)phosphoryl]-4-(4-nitrophenyl)piperazine.
Chemical Property Profile of Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate
Property Insights of Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate
The XLogP value of 3.9827 indicates that Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.15 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate. Following Lipinski's Rule of Five, Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate?
The CAS number of Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate is 331430-71-8.
What is the molecular formula of Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate?
The molecular formula of Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate is C14H16F6N3O5P.
What is the molecular weight of Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate?
The molecular weight of Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate is 451.07 g/mol.
Where can I buy Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate?
You can request a quote for Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,2,2-trifluoroethyl) 4-{4-nitrophenyl}-1-piperazinylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.