5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide
TL;DR: 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide (CAS 3524-08-1) 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-3-oxido-2,1,3-benzoxadiazol-3-ium
Also Known As: 5,7-dinitrobenzofuroxane, 4,6-Dinitrobenzofurazane 3-oxide, 5,7-dinitro-2,1,3-benzoxadiazole 1-oxide, J1.175.032J, 5,7-dinitrobenzo[c][1,2,5]oxadiazole 1-oxide
| Molecular Formula | C6H2N4O6 |
|---|---|
| Molecular Weight | 226.00 g/mol |
| LogP | 0.2776 |
| Topological Polar Surface Area | 139.25 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 225.99744 |
| Heavy Atoms | 16 |
| Complexity | 604.3297 |
Chemical Identifiers
| CAS Number | 3524-08-1 |
|---|---|
| SMILES | C1=C(C=C(C2=[N+](ON=C21)[O-])[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide (CAS 3524-08-1), with molecular formula C6H2N4O6 and molecular weight 226.00 g/mol. IUPAC: 4,6-dinitro-3-oxido-2,1,3-benzoxadiazol-3-ium.
Chemical Property Profile of 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide
Property Insights of 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide
The XLogP value of 0.2776 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide. The TPSA of 139.25 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide. Following Lipinski's Rule of Five, 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide 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 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide?
The CAS number of 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide is 3524-08-1.
What is the molecular formula of 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide?
The molecular formula of 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide is C6H2N4O6.
What is the molecular weight of 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide?
The molecular weight of 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide is 226.00 g/mol.
Where can I buy 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide?
You can request a quote for 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 5,7-Dinitro-2,1,3-benzoxadiazole 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.