Bis(4-nitrobenzyl) phosphorochloridate
TL;DR: Bis(4-nitrobenzyl) phosphorochloridate (CAS 57188-46-2) 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-[(4-nitrophenyl)methoxy]phosphoryl]oxymethyl]-4-nitrobenzene
Also Known As: BIS(4-NITROBENZYL) PHOSPHOROCHLORIDATE, Bis(p-nitrobenzyl) Phosphorochloridate, bis-(p-nitrobenzyl)chlorophosphate, p-Nitro-benzyl Alcohol Phosphorochloridate, Bis(p-nitrobenzyl) Phosphorochloridate (Technical grade)
| 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 | 745.4349 |
Chemical Identifiers
| CAS Number | 57188-46-2 |
|---|---|
| SMILES | C1=CC(=CC=C1COP(=O)(OCC2=CC=C(C=C2)[N+](=O)[O-])Cl)[N+](=O)[O-] |
Product Overview
Bis(4-nitrobenzyl) phosphorochloridate (CAS 57188-46-2), with molecular formula C14H12ClN2O7P and molecular weight 386.01 g/mol. IUPAC: 1-[[chloro-[(4-nitrophenyl)methoxy]phosphoryl]oxymethyl]-4-nitrobenzene.
Chemical Property Profile of Bis(4-nitrobenzyl) phosphorochloridate
Property Insights of Bis(4-nitrobenzyl) phosphorochloridate
The XLogP value of 4.5833 indicates that Bis(4-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(4-nitrobenzyl) phosphorochloridate. Following Lipinski's Rule of Five, Bis(4-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(4-nitrobenzyl) phosphorochloridate?
The CAS number of Bis(4-nitrobenzyl) phosphorochloridate is 57188-46-2.
What is the molecular formula of Bis(4-nitrobenzyl) phosphorochloridate?
The molecular formula of Bis(4-nitrobenzyl) phosphorochloridate is C14H12ClN2O7P.
What is the molecular weight of Bis(4-nitrobenzyl) phosphorochloridate?
The molecular weight of Bis(4-nitrobenzyl) phosphorochloridate is 386.01 g/mol.
Where can I buy Bis(4-nitrobenzyl) phosphorochloridate?
You can request a quote for Bis(4-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(4-nitrobenzyl) phosphorochloridate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-nitrobenzyl) phosphorochloridate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.