1,4,7-Trinitroso-1,4,7-triazonane
TL;DR: 1,4,7-Trinitroso-1,4,7-triazonane (CAS 426841-66-9) is a chemical compound with molecular formula C6H12N6O3 and molecular weight 216.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4,7-trinitroso-1,4,7-triazonane
Also Known As: 1,4,7-trinitroso-1,4,7-triazonane, 1,4,7-Trinitroso-1,4,7-triazacyclononane, J1.656.348J, Octahydro-1,4,7-trinitroso-1H-1,4,7-triazonine
| Molecular Formula | C6H12N6O3 |
|---|---|
| Molecular Weight | 216.10 g/mol |
| LogP | -0.0498 |
| Topological Polar Surface Area | 98.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 216.09709 |
| Heavy Atoms | 15 |
| Complexity | 186.86803 |
Chemical Identifiers
| CAS Number | 426841-66-9 |
|---|---|
| SMILES | C1CN(CCN(CCN1N=O)N=O)N=O |
Product Overview
1,4,7-Trinitroso-1,4,7-triazonane (CAS 426841-66-9), with molecular formula C6H12N6O3 and molecular weight 216.10 g/mol. IUPAC: 1,4,7-trinitroso-1,4,7-triazonane.
Chemical Property Profile of 1,4,7-Trinitroso-1,4,7-triazonane
Property Insights of 1,4,7-Trinitroso-1,4,7-triazonane
The XLogP value of -0.0498 indicates that 1,4,7-Trinitroso-1,4,7-triazonane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4,7-Trinitroso-1,4,7-triazonane. Following Lipinski's Rule of Five, 1,4,7-Trinitroso-1,4,7-triazonane has 0 hydrogen bond donor(s) and 6 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 1,4,7-Trinitroso-1,4,7-triazonane?
The CAS number of 1,4,7-Trinitroso-1,4,7-triazonane is 426841-66-9.
What is the molecular formula of 1,4,7-Trinitroso-1,4,7-triazonane?
The molecular formula of 1,4,7-Trinitroso-1,4,7-triazonane is C6H12N6O3.
What is the molecular weight of 1,4,7-Trinitroso-1,4,7-triazonane?
The molecular weight of 1,4,7-Trinitroso-1,4,7-triazonane is 216.10 g/mol.
Where can I buy 1,4,7-Trinitroso-1,4,7-triazonane?
You can request a quote for 1,4,7-Trinitroso-1,4,7-triazonane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4,7-Trinitroso-1,4,7-triazonane?
Yes, KEHONG BIO provides custom synthesis services for 1,4,7-Trinitroso-1,4,7-triazonane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.