Bis(4-nitrophenyl)methyl phosphate
TL;DR: Bis(4-nitrophenyl)methyl phosphate (CAS 799-87-1) is a chemical compound with molecular formula C13H11N2O8P and molecular weight 354.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl bis(4-nitrophenyl) phosphate
Also Known As: Bis(4-nitrophenyl)methyl phosphate, methyl bis(4-nitrophenyl) phosphate, Ribavirin Impurity 10, Ribavirin Impurity 12, Ribavirin Impurity 42
| Molecular Formula | C13H11N2O8P |
|---|---|
| Molecular Weight | 354.03 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 354.0253 |
| Heavy Atoms | 24 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 799-87-1 |
|---|---|
| SMILES | COP(=O)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | QQXGGQAHRFTLCQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(4-nitrophenyl)methyl phosphate (CAS 799-87-1), with molecular formula C13H11N2O8P and molecular weight 354.03 g/mol. IUPAC: methyl bis(4-nitrophenyl) phosphate.
Chemical Property Profile of Bis(4-nitrophenyl)methyl phosphate
Property Insights of Bis(4-nitrophenyl)methyl phosphate
The XLogP value of 3.0 indicates that Bis(4-nitrophenyl)methyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(4-nitrophenyl)methyl phosphate. Following Lipinski's Rule of Five, Bis(4-nitrophenyl)methyl phosphate has 0 hydrogen bond donor(s) and 8 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(4-nitrophenyl)methyl phosphate?
The CAS number of Bis(4-nitrophenyl)methyl phosphate is 799-87-1.
What is the molecular formula of Bis(4-nitrophenyl)methyl phosphate?
The molecular formula of Bis(4-nitrophenyl)methyl phosphate is C13H11N2O8P.
What is the molecular weight of Bis(4-nitrophenyl)methyl phosphate?
The molecular weight of Bis(4-nitrophenyl)methyl phosphate is 354.03 g/mol.
Where can I buy Bis(4-nitrophenyl)methyl phosphate?
You can request a quote for Bis(4-nitrophenyl)methyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(4-nitrophenyl)methyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-nitrophenyl)methyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.