Bis(2,4-dinitrophenyl) ether
TL;DR: Bis(2,4-dinitrophenyl) ether (CAS 2217-56-3) is a chemical compound with molecular formula C12H6N4O9 and molecular weight 350.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dinitrophenoxy)-2,4-dinitrobenzene
Also Known As: Bis(2,4-dinitrophenyl) ether, Tetronal, 2,4-Dinitrophenyl Ether, Ether,4-dinitrophenyl), Ether, bis(2,4-dinitrophenyl)
| Molecular Formula | C12H6N4O9 |
|---|---|
| Molecular Weight | 350.01 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 2 |
| Exact Mass | 350.0135 |
| Heavy Atoms | 25 |
| Complexity | 501.0 |
Chemical Identifiers
| CAS Number | 2217-56-3 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])OC2=C(C=C(C=C2)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | WGAXJEXVOSVLFY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Bis(2,4-dinitrophenyl) ether (CAS 2217-56-3), with molecular formula C12H6N4O9 and molecular weight 350.01 g/mol. IUPAC: 1-(2,4-dinitrophenoxy)-2,4-dinitrobenzene.
Chemical Property Profile of Bis(2,4-dinitrophenyl) ether
Property Insights of Bis(2,4-dinitrophenyl) ether
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2,4-dinitrophenyl) ether. The TPSA of 193.0 Ų indicates high polarity, suggesting Bis(2,4-dinitrophenyl) ether may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Bis(2,4-dinitrophenyl) ether has 0 hydrogen bond donor(s) and 9 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(2,4-dinitrophenyl) ether?
The CAS number of Bis(2,4-dinitrophenyl) ether is 2217-56-3.
What is the molecular formula of Bis(2,4-dinitrophenyl) ether?
The molecular formula of Bis(2,4-dinitrophenyl) ether is C12H6N4O9.
What is the molecular weight of Bis(2,4-dinitrophenyl) ether?
The molecular weight of Bis(2,4-dinitrophenyl) ether is 350.01 g/mol.
Where can I buy Bis(2,4-dinitrophenyl) ether?
You can request a quote for Bis(2,4-dinitrophenyl) ether directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2,4-dinitrophenyl) ether?
Yes, KEHONG BIO provides custom synthesis services for Bis(2,4-dinitrophenyl) ether and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.