1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane
TL;DR: 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane (CAS 80308-82-3) is a chemical compound with molecular formula C5H6F2N6O11 and molecular weight 364.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2-fluoro-2,2-dinitroethoxy)methyl]-N-(2-fluoro-2,2-dinitroethyl)nitramide
Also Known As: 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane, N-[(2-fluoro-2,2-dinitroethoxy)methyl]-N-(2-fluoro-2,2-dinitroethyl)nitramide, N-[(2-fluoro-2,2-dinitroethoxy)methyl]-N-(2-fluoro-2,2-dinit
| Molecular Formula | C5H6F2N6O11 |
|---|---|
| Molecular Weight | 364.01 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 242.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 14 |
| Rotatable Bonds | 6 |
| Exact Mass | 364.00626 |
| Heavy Atoms | 24 |
| Complexity | 514.0 |
Chemical Identifiers
| CAS Number | 80308-82-3 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])F)N(COCC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-] |
| InChIKey | SOLZWBGEHVEJDE-UHFFFAOYSA-N |
Product Overview
1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane (CAS 80308-82-3), with molecular formula C5H6F2N6O11 and molecular weight 364.01 g/mol. IUPAC: N-[(2-fluoro-2,2-dinitroethoxy)methyl]-N-(2-fluoro-2,2-dinitroethyl)nitramide.
Chemical Property Profile of 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane
Property Insights of 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane. The TPSA of 242.0 Ų indicates high polarity, suggesting 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane has 0 hydrogen bond donor(s) and 14 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-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane?
The CAS number of 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane is 80308-82-3.
What is the molecular formula of 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane?
The molecular formula of 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane is C5H6F2N6O11.
What is the molecular weight of 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane?
The molecular weight of 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane is 364.01 g/mol.
Where can I buy 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane?
You can request a quote for 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane 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-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane?
Yes, KEHONG BIO provides custom synthesis services for 1,7-Difluoro-1,1,5,7,7-pentanitro-5-aza-3-oxaheptane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.