1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane
TL;DR: 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane (CAS 80308-93-6) is a chemical compound with molecular formula C5H6F2N8O12 and molecular weight 408.01 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-fluoro-2,2-dinitroethyl)-nitroamino]methyl]nitramide
Also Known As: 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane, N,N'-Methylenebis[N-(2-fluoro-2,2-dinitroethyl)nitramide], N-(2-fluoro-2,2-dinitroethyl)-N-[[(2-fluoro-2,2-dinitroethyl)-nitroamino]methyl]nitramide, RefChem:221675
| Molecular Formula | C5H6F2N8O12 |
|---|---|
| Molecular Weight | 408.01 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 281.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 6 |
| Exact Mass | 408.00732 |
| Heavy Atoms | 27 |
| Complexity | 568.0 |
Chemical Identifiers
| CAS Number | 80308-93-6 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])F)N(CN(CC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | SGOLSSPCBCZHEA-UHFFFAOYSA-N |
Product Overview
1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane (CAS 80308-93-6), with molecular formula C5H6F2N8O12 and molecular weight 408.01 g/mol. IUPAC: N-(2-fluoro-2,2-dinitroethyl)-N-[[(2-fluoro-2,2-dinitroethyl)-nitroamino]methyl]nitramide.
Chemical Property Profile of 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane
Property Insights of 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane. The TPSA of 281.0 Ų indicates high polarity, suggesting 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane 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 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane?
The CAS number of 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane is 80308-93-6.
What is the molecular formula of 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane?
The molecular formula of 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane is C5H6F2N8O12.
What is the molecular weight of 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane?
The molecular weight of 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane is 408.01 g/mol.
Where can I buy 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane?
You can request a quote for 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Difluoro-1,1,3,5,7,7-hexanitro-3,5-diazaheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.