4,6-Dinitrobenzofuroxan
TL;DR: 4,6-Dinitrobenzofuroxan (CAS 5128-28-9) is a chemical compound with molecular formula C6H2N4O6 and molecular weight 226.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6-dinitro-1-oxido-2,1,3-benzoxadiazol-1-ium
Also Known As: 4,6-Dinitrobenzofuroxan, 4,6-Dinitrobenzofuroxane, DNBF cpd, prop-2-en-1-olate, Ex076
| Molecular Formula | C6H2N4O6 |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 143.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 0 |
| Exact Mass | 225.99744 |
| Heavy Atoms | 16 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 5128-28-9 |
|---|---|
| SMILES | C1=C(C=C(C2=NO[N+](=C21)[O-])[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | YHBBUAULQKLKMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,6-Dinitrobenzofuroxan (CAS 5128-28-9), with molecular formula C6H2N4O6 and molecular weight 226.00 g/mol. IUPAC: 4,6-dinitro-1-oxido-2,1,3-benzoxadiazol-1-ium.
Chemical Property Profile of 4,6-Dinitrobenzofuroxan
Property Insights of 4,6-Dinitrobenzofuroxan
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dinitrobenzofuroxan. The TPSA of 143.0 Ų indicates high polarity, suggesting 4,6-Dinitrobenzofuroxan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,6-Dinitrobenzofuroxan 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 4,6-Dinitrobenzofuroxan?
The CAS number of 4,6-Dinitrobenzofuroxan is 5128-28-9.
What is the molecular formula of 4,6-Dinitrobenzofuroxan?
The molecular formula of 4,6-Dinitrobenzofuroxan is C6H2N4O6.
What is the molecular weight of 4,6-Dinitrobenzofuroxan?
The molecular weight of 4,6-Dinitrobenzofuroxan is 226.00 g/mol.
Where can I buy 4,6-Dinitrobenzofuroxan?
You can request a quote for 4,6-Dinitrobenzofuroxan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dinitrobenzofuroxan?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dinitrobenzofuroxan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.