1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane
TL;DR: 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane (CAS 88371-89-5) is a chemical compound with molecular formula C6H8N8O12 and molecular weight 384.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3,3,5,7,7-hexanitro-1,5-diazocane
Also Known As: HNDZ, 1,3,3,5,7,7-hexanitro-1,5-diazocane, 1,3,3,5,7,7-hexanitro-1,5-diazacyclooctane, 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane, J1.037.774I
| Molecular Formula | C6H8N8O12 |
|---|---|
| Molecular Weight | 384.03 g/mol |
| LogP | -2.5132 |
| Topological Polar Surface Area | 265.32 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 384.02615 |
| Heavy Atoms | 26 |
| Complexity | 589.2079 |
Chemical Identifiers
| CAS Number | 88371-89-5 |
|---|---|
| SMILES | C1C(CN(CC(CN1[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-] |
Product Overview
1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane (CAS 88371-89-5), with molecular formula C6H8N8O12 and molecular weight 384.03 g/mol. IUPAC: 1,3,3,5,7,7-hexanitro-1,5-diazocane.
Chemical Property Profile of 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane
Property Insights of 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane
The XLogP value of -2.5132 indicates that 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 265.32 Ų indicates high polarity, suggesting 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane has 0 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane?
The CAS number of 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane is 88371-89-5.
What is the molecular formula of 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane?
The molecular formula of 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane is C6H8N8O12.
What is the molecular weight of 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane?
The molecular weight of 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane is 384.03 g/mol.
Where can I buy 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane?
You can request a quote for 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane?
Yes, KEHONG BIO provides custom synthesis services for 1,1,3,5,5,7-Hexanitro-3,7-diazacyclooctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.