1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane
TL;DR: 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane (CAS 28820-56-6) is a chemical compound with molecular formula C6H8F2N8O12 and molecular weight 422.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2-fluoro-2,2-dinitroethyl)-N-[2-[(2-fluoro-2,2-dinitroethyl)-nitroamino]ethyl]nitramide
Also Known As: 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane, J1.049.375G, Ethylenebis[(2,2-dinitro-2-fluoroethyl)nitroamine], N,N'-Ethane-1,2-diylbis[N-(2-fluoro-2,2-dinitroethyl)nitramide], (2-fluoro-2,2-dinitroethyl)({2-[(2-fluoro-2,2-dinitroethyl)(nitro)amino]ethyl})nitroamine
| Molecular Formula | C6H8F2N8O12 |
|---|---|
| Molecular Weight | 422.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 281.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 7 |
| Exact Mass | 422.02298 |
| Heavy Atoms | 28 |
| Complexity | 583.0 |
Chemical Identifiers
| CAS Number | 28820-56-6 |
|---|---|
| SMILES | C(CN(CC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-])N(CC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-] |
| InChIKey | CEKYSAGUWBZXMH-UHFFFAOYSA-N |
Product Overview
1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane (CAS 28820-56-6), with molecular formula C6H8F2N8O12 and molecular weight 422.02 g/mol. IUPAC: N-(2-fluoro-2,2-dinitroethyl)-N-[2-[(2-fluoro-2,2-dinitroethyl)-nitroamino]ethyl]nitramide.
Chemical Property Profile of 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane
Property Insights of 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane. The TPSA of 281.0 Ų indicates high polarity, suggesting 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane has 0 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane?
The CAS number of 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane is 28820-56-6.
What is the molecular formula of 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane?
The molecular formula of 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane is C6H8F2N8O12.
What is the molecular weight of 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane?
The molecular weight of 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane is 422.02 g/mol.
Where can I buy 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane?
You can request a quote for 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane?
Yes, KEHONG BIO provides custom synthesis services for 1,8-Difluoro-1,1,3,6,8,8-hexanitro-3,6-diazaoctane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.