Bis(4-nitrophenyl) methylphosphonate
TL;DR: Bis(4-nitrophenyl) methylphosphonate (CAS 6395-57-9) is a chemical compound with molecular formula C13H11N2O7P and molecular weight 338.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[methyl-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene
Also Known As: BNPMP, Bis(4-nitrophenyl) methylphosphonate, Bis(para-nitrophenyl) methylphosphonate, bis(p-nitrophenyl) methylphosphonate, 1-[methyl-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene
| Molecular Formula | C13H11N2O7P |
|---|---|
| Molecular Weight | 338.03 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 127.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.0304 |
| Heavy Atoms | 23 |
| Complexity | 434.0 |
Chemical Identifiers
| CAS Number | 6395-57-9 |
|---|---|
| SMILES | CP(=O)(OC1=CC=C(C=C1)[N+](=O)[O-])OC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | SDAYVSWWJWIHPP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(4-nitrophenyl) methylphosphonate (CAS 6395-57-9), with molecular formula C13H11N2O7P and molecular weight 338.03 g/mol. IUPAC: 1-[methyl-(4-nitrophenoxy)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of Bis(4-nitrophenyl) methylphosphonate
Property Insights of Bis(4-nitrophenyl) methylphosphonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(4-nitrophenyl) methylphosphonate. The TPSA of 127.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Bis(4-nitrophenyl) methylphosphonate. Following Lipinski's Rule of Five, Bis(4-nitrophenyl) methylphosphonate 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 Bis(4-nitrophenyl) methylphosphonate?
The CAS number of Bis(4-nitrophenyl) methylphosphonate is 6395-57-9.
What is the molecular formula of Bis(4-nitrophenyl) methylphosphonate?
The molecular formula of Bis(4-nitrophenyl) methylphosphonate is C13H11N2O7P.
What is the molecular weight of Bis(4-nitrophenyl) methylphosphonate?
The molecular weight of Bis(4-nitrophenyl) methylphosphonate is 338.03 g/mol.
Where can I buy Bis(4-nitrophenyl) methylphosphonate?
You can request a quote for Bis(4-nitrophenyl) methylphosphonate 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) methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-nitrophenyl) methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.