4-Nitrophenyl methyl(4-nitrophenyl)phosphinate
TL;DR: 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate (CAS 80751-41-3) is a chemical compound with molecular formula C13H11N2O6P and molecular weight 322.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[methyl-(4-nitrophenyl)phosphoryl]oxy-4-nitrobenzene
Also Known As: 4-Nitrophenylmethyl phosphinate, 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate, 1-[methyl-(4-nitrophenyl)phosphoryl]oxy-4-nitrobenzene, Phosphinic acid, methyl(4-nitrophenyl)-, 4-nitrophenyl ester
| Molecular Formula | C13H11N2O6P |
|---|---|
| Molecular Weight | 322.04 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 322.03546 |
| Heavy Atoms | 22 |
| Complexity | 458.0 |
Chemical Identifiers
| CAS Number | 80751-41-3 |
|---|---|
| SMILES | CP(=O)(C1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | FOSFAUMXZKVQMV-UHFFFAOYSA-N |
Product Overview
4-Nitrophenyl methyl(4-nitrophenyl)phosphinate (CAS 80751-41-3), with molecular formula C13H11N2O6P and molecular weight 322.04 g/mol. IUPAC: 1-[methyl-(4-nitrophenyl)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate
Property Insights of 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate. Following Lipinski's Rule of Five, 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate 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 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate?
The CAS number of 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate is 80751-41-3.
What is the molecular formula of 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate?
The molecular formula of 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate is C13H11N2O6P.
What is the molecular weight of 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate?
The molecular weight of 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate is 322.04 g/mol.
Where can I buy 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate?
You can request a quote for 4-Nitrophenyl methyl(4-nitrophenyl)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-nitrophenyl)phosphinate?
Yes, KEHONG BIO provides custom synthesis services for 4-Nitrophenyl methyl(4-nitrophenyl)phosphinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.