Bis(2-nitrobenzyl) phosphorochloridate
TL;DR: Bis(2-nitrobenzyl) phosphorochloridate (CAS 56883-17-1) is a chemical compound with molecular formula C14H12ClN2O7P and molecular weight 386.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[[chloro-[(2-nitrophenyl)methoxy]phosphoryl]oxymethyl]-2-nitrobenzene
Also Known As: BIS(2-NITROBENZYL) PHOSPHOROCHLORIDATE, Di-o-nitrobenzylchlorophosphat, Bis[(2-nitrophenyl)methyl] phosphorochloridate, 1-[[chloro-[(2-nitrophenyl)methoxy]phosphoryl]oxymethyl]-2-nitrobenzene, 1-[[chloro-[(2-nitrophenyl)methoxy]phosphoryl]oxymethyl]-2-nitro-benzene
| Molecular Formula | C14H12ClN2O7P |
|---|---|
| Molecular Weight | 386.01 g/mol |
| LogP | 4.5833 |
| Topological Polar Surface Area | 121.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 386.00708 |
| Heavy Atoms | 25 |
| Complexity | 779.9349 |
Chemical Identifiers
| CAS Number | 56883-17-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)COP(=O)(OCC2=CC=CC=C2[N+](=O)[O-])Cl)[N+](=O)[O-] |
Product Overview
Bis(2-nitrobenzyl) phosphorochloridate (CAS 56883-17-1), with molecular formula C14H12ClN2O7P and molecular weight 386.01 g/mol. IUPAC: 1-[[chloro-[(2-nitrophenyl)methoxy]phosphoryl]oxymethyl]-2-nitrobenzene.
Chemical Property Profile of Bis(2-nitrobenzyl) phosphorochloridate
Property Insights of Bis(2-nitrobenzyl) phosphorochloridate
The XLogP value of 4.5833 indicates that Bis(2-nitrobenzyl) phosphorochloridate 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 Bis(2-nitrobenzyl) phosphorochloridate. Following Lipinski's Rule of Five, Bis(2-nitrobenzyl) phosphorochloridate 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(2-nitrobenzyl) phosphorochloridate?
The CAS number of Bis(2-nitrobenzyl) phosphorochloridate is 56883-17-1.
What is the molecular formula of Bis(2-nitrobenzyl) phosphorochloridate?
The molecular formula of Bis(2-nitrobenzyl) phosphorochloridate is C14H12ClN2O7P.
What is the molecular weight of Bis(2-nitrobenzyl) phosphorochloridate?
The molecular weight of Bis(2-nitrobenzyl) phosphorochloridate is 386.01 g/mol.
Where can I buy Bis(2-nitrobenzyl) phosphorochloridate?
You can request a quote for Bis(2-nitrobenzyl) phosphorochloridate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-nitrobenzyl) phosphorochloridate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-nitrobenzyl) phosphorochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.