![Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate structure](/static/products/6324/63245-90-9.webp)
Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate
TL;DR: Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate (CAS 63245-90-9) is a chemical compound with molecular formula C11H12F3N2O7P and molecular weight 372.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-diethoxyphosphoryl-1,3-dinitro-5-(trifluoromethyl)benzene
Also Known As: diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate, BAS 00113804, 2-diethoxyphosphoryl-1,3-dinitro-5-(trifluoromethyl)benzene, Diethyl (2,6-dinitro-4-(trifluoromethyl)phenyl)phosphonate, [2,6-dinitro-4-(trifluoromethyl)phenyl]diethoxyphosphino-1-one
| Molecular Formula | C11H12F3N2O7P |
|---|---|
| Molecular Weight | 372.03 g/mol |
| LogP | 3.4132 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 372.03342 |
| Heavy Atoms | 24 |
| Complexity | 662.3431 |
Chemical Identifiers
| CAS Number | 63245-90-9 |
|---|---|
| SMILES | CCOP(=O)(C1=C(C=C(C=C1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-])OCC |
Product Overview
Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate (CAS 63245-90-9), with molecular formula C11H12F3N2O7P and molecular weight 372.03 g/mol. IUPAC: 2-diethoxyphosphoryl-1,3-dinitro-5-(trifluoromethyl)benzene.
Chemical Property Profile of Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate
Property Insights of Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate
The XLogP value of 3.4132 indicates that Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 121.81 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate. Following Lipinski's Rule of Five, Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate has 0 hydrogen bond donor(s) and 7 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 Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate?
The CAS number of Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate is 63245-90-9.
What is the molecular formula of Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate?
The molecular formula of Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate is C11H12F3N2O7P.
What is the molecular weight of Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate?
The molecular weight of Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate is 372.03 g/mol.
Where can I buy Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate?
You can request a quote for Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl [2,6-dinitro-4-(trifluoromethyl)phenyl]phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.