4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate
TL;DR: 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate (CAS 90872-18-7) is a chemical compound with molecular formula C14H11F3NO4P and molecular weight 345.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[methyl-(4-nitrophenoxy)phosphoryl]-4-(trifluoromethyl)benzene
Also Known As: 4-Nmtpp, 4-Nitrophenylmethyl phosphinate, 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate, Phosphinic acid, methyl(4-(trifluoromethyl)phenyl)-, 4-nitrophenyl ester, 1-[methyl-(4-nitrophenoxy)phosphoryl]-4-(trifluoromethyl)benzene
| Molecular Formula | C14H11F3NO4P |
|---|---|
| Molecular Weight | 345.04 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 72.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.03778 |
| Heavy Atoms | 23 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 90872-18-7 |
|---|---|
| SMILES | CP(=O)(C1=CC=C(C=C1)C(F)(F)F)OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | PEIIURDFPGKMIM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate (CAS 90872-18-7), with molecular formula C14H11F3NO4P and molecular weight 345.04 g/mol. IUPAC: 1-[methyl-(4-nitrophenoxy)phosphoryl]-4-(trifluoromethyl)benzene.
Chemical Property Profile of 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate
Property Insights of 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate
The XLogP value of 3.5 indicates that 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate. Following Lipinski's Rule of Five, 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate 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 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate?
The CAS number of 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate is 90872-18-7.
What is the molecular formula of 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate?
The molecular formula of 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate is C14H11F3NO4P.
What is the molecular weight of 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate?
The molecular weight of 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate is 345.04 g/mol.
Where can I buy 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate?
You can request a quote for 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl methyl(4-trifluoromethylphenyl)phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.