1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane
TL;DR: 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane (CAS 30290-64-3) is a chemical compound with molecular formula C4H4F2N4O9 and molecular weight 289.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-fluoro-2-(2-fluoro-2,2-dinitroethoxy)-1,1-dinitroethane
Also Known As: 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane, Bis(2-fluoro-2,2-dinitroethyl) ether, bis-(2-fluoro-2,2-dinitro-ethyl) ether, 1,5-Difluoro-1,1,5,5-tetranitro-3-oxapentane, 1-fluoro-2-(2-fluoro-2,2-dinitroethoxy)-1,1-dinitroethane
| Molecular Formula | C4H4F2N4O9 |
|---|---|
| Molecular Weight | 289.99 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 193.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 4 |
| Exact Mass | 289.99463 |
| Heavy Atoms | 19 |
| Complexity | 338.0 |
Chemical Identifiers
| CAS Number | 30290-64-3 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])F)OCC([N+](=O)[O-])([N+](=O)[O-])F |
| InChIKey | CJKPCQACYWAHHB-UHFFFAOYSA-N |
Product Overview
1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane (CAS 30290-64-3), with molecular formula C4H4F2N4O9 and molecular weight 289.99 g/mol. IUPAC: 1-fluoro-2-(2-fluoro-2,2-dinitroethoxy)-1,1-dinitroethane.
Chemical Property Profile of 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane
Property Insights of 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane. The TPSA of 193.0 Ų indicates high polarity, suggesting 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane has 0 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane?
The CAS number of 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane is 30290-64-3.
What is the molecular formula of 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane?
The molecular formula of 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane is C4H4F2N4O9.
What is the molecular weight of 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane?
The molecular weight of 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane is 289.99 g/mol.
Where can I buy 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane?
You can request a quote for 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane?
Yes, KEHONG BIO provides custom synthesis services for 1,5-Difluoro-3-oxa-1,1,5,5-tetranitropentane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.