4,5-Bis(nitratomethyl)furoxan
TL;DR: 4,5-Bis(nitratomethyl)furoxan (CAS 57449-44-2) is a chemical compound with molecular formula C4H4N4O8 and molecular weight 236.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(nitrooxymethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]methyl nitrate
Also Known As: 4,5-Bis(nitratomethyl)furoxan, Dimethyolfuroxan dinitrate, Furoxandimethanol dinitrate, (2-Oxo-1,2lambda~5~,5-oxadiazole-3,4-diyl)bis(methylene) dinitrate, [4-(nitrooxymethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]methyl nitrate
| Molecular Formula | C4H4N4O8 |
|---|---|
| Molecular Weight | 236.00 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 162.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 236.00291 |
| Heavy Atoms | 16 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 57449-44-2 |
|---|---|
| SMILES | C(C1=NO[N+](=C1CO[N+](=O)[O-])[O-])O[N+](=O)[O-] |
| InChIKey | ZMQPBRDLHIHLEZ-UHFFFAOYSA-N |
Product Overview
4,5-Bis(nitratomethyl)furoxan (CAS 57449-44-2), with molecular formula C4H4N4O8 and molecular weight 236.00 g/mol. IUPAC: [4-(nitrooxymethyl)-2-oxido-1,2,5-oxadiazol-2-ium-3-yl]methyl nitrate.
Chemical Property Profile of 4,5-Bis(nitratomethyl)furoxan
Property Insights of 4,5-Bis(nitratomethyl)furoxan
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,5-Bis(nitratomethyl)furoxan. The TPSA of 162.0 Ų indicates high polarity, suggesting 4,5-Bis(nitratomethyl)furoxan may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 4,5-Bis(nitratomethyl)furoxan 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 4,5-Bis(nitratomethyl)furoxan?
The CAS number of 4,5-Bis(nitratomethyl)furoxan is 57449-44-2.
What is the molecular formula of 4,5-Bis(nitratomethyl)furoxan?
The molecular formula of 4,5-Bis(nitratomethyl)furoxan is C4H4N4O8.
What is the molecular weight of 4,5-Bis(nitratomethyl)furoxan?
The molecular weight of 4,5-Bis(nitratomethyl)furoxan is 236.00 g/mol.
Where can I buy 4,5-Bis(nitratomethyl)furoxan?
You can request a quote for 4,5-Bis(nitratomethyl)furoxan directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Bis(nitratomethyl)furoxan?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Bis(nitratomethyl)furoxan and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.