Bis(4-nitrobenzyl) hydrogen phosphate
TL;DR: Bis(4-nitrobenzyl) hydrogen phosphate (CAS 14390-40-0) is a chemical compound with molecular formula C14H13N2O8P and molecular weight 368.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis[(4-nitrophenyl)methyl] hydrogen phosphate
Also Known As: Bis(p-nitrobenzyl) Phosphate, Bis(4-nitrobenzyl) hydrogen phosphate, Bis-(p-nitrobenzyl)phosphate, bis[(4-nitrophenyl)methyl] hydrogen phosphate, p-Nitro-benzyl Alcohol Hydrogen Phosphate
| Molecular Formula | C14H13N2O8P |
|---|---|
| Molecular Weight | 368.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 147.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 368.04095 |
| Heavy Atoms | 25 |
| Complexity | 462.0 |
Chemical Identifiers
| CAS Number | 14390-40-0 |
|---|---|
| SMILES | C1=CC(=CC=C1COP(=O)(O)OCC2=CC=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | JSPSCIMSQMTXFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(4-nitrobenzyl) hydrogen phosphate (CAS 14390-40-0), with molecular formula C14H13N2O8P and molecular weight 368.04 g/mol. IUPAC: bis[(4-nitrophenyl)methyl] hydrogen phosphate.
Chemical Property Profile of Bis(4-nitrobenzyl) hydrogen phosphate
Property Insights of Bis(4-nitrobenzyl) hydrogen phosphate
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(4-nitrobenzyl) hydrogen phosphate. The TPSA of 147.0 Ų indicates high polarity, suggesting Bis(4-nitrobenzyl) hydrogen phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(4-nitrobenzyl) hydrogen phosphate has 1 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-nitrobenzyl) hydrogen phosphate?
The CAS number of Bis(4-nitrobenzyl) hydrogen phosphate is 14390-40-0.
What is the molecular formula of Bis(4-nitrobenzyl) hydrogen phosphate?
The molecular formula of Bis(4-nitrobenzyl) hydrogen phosphate is C14H13N2O8P.
What is the molecular weight of Bis(4-nitrobenzyl) hydrogen phosphate?
The molecular weight of Bis(4-nitrobenzyl) hydrogen phosphate is 368.04 g/mol.
Where can I buy Bis(4-nitrobenzyl) hydrogen phosphate?
You can request a quote for Bis(4-nitrobenzyl) hydrogen 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-nitrobenzyl) hydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for Bis(4-nitrobenzyl) hydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.