3,7-dinitro-1,5,3,7-dioxadiazocane
TL;DR: 3,7-dinitro-1,5,3,7-dioxadiazocane (CAS 300402-76-0) is a chemical compound with molecular formula C4H8N4O6 and molecular weight 208.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,7-dinitro-1,5,3,7-dioxadiazocane
Also Known As: 3,7-dinitro-1,5,3,7-dioxadiazocane, 3,7-dinitro-1,5-dioxa-3,7-diaza-cyclooctane, 3,7-dinitro-1,5,3,7-dioxadiazaperhydroocine, 2H,6H-1,5,3,7-Dioxadiazocine, tetrahydro-3,7-dinitro-, RefChem:381721
| Molecular Formula | C4H8N4O6 |
|---|---|
| Molecular Weight | 208.04 g/mol |
| LogP | -1.1494 |
| Topological Polar Surface Area | 111.22 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.04439 |
| Heavy Atoms | 14 |
| Complexity | 201.8714 |
Chemical Identifiers
| CAS Number | 300402-76-0 |
|---|---|
| SMILES | C1N(COCN(CO1)[N+](=O)[O-])[N+](=O)[O-] |
Product Overview
3,7-dinitro-1,5,3,7-dioxadiazocane (CAS 300402-76-0), with molecular formula C4H8N4O6 and molecular weight 208.04 g/mol. IUPAC: 3,7-dinitro-1,5,3,7-dioxadiazocane.
Chemical Property Profile of 3,7-dinitro-1,5,3,7-dioxadiazocane
Property Insights of 3,7-dinitro-1,5,3,7-dioxadiazocane
The XLogP value of -1.1494 indicates that 3,7-dinitro-1,5,3,7-dioxadiazocane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 111.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,7-dinitro-1,5,3,7-dioxadiazocane. Following Lipinski's Rule of Five, 3,7-dinitro-1,5,3,7-dioxadiazocane 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 3,7-dinitro-1,5,3,7-dioxadiazocane?
The CAS number of 3,7-dinitro-1,5,3,7-dioxadiazocane is 300402-76-0.
What is the molecular formula of 3,7-dinitro-1,5,3,7-dioxadiazocane?
The molecular formula of 3,7-dinitro-1,5,3,7-dioxadiazocane is C4H8N4O6.
What is the molecular weight of 3,7-dinitro-1,5,3,7-dioxadiazocane?
The molecular weight of 3,7-dinitro-1,5,3,7-dioxadiazocane is 208.04 g/mol.
Where can I buy 3,7-dinitro-1,5,3,7-dioxadiazocane?
You can request a quote for 3,7-dinitro-1,5,3,7-dioxadiazocane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-dinitro-1,5,3,7-dioxadiazocane?
Yes, KEHONG BIO provides custom synthesis services for 3,7-dinitro-1,5,3,7-dioxadiazocane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.