1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane)
TL;DR: 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane) (CAS 29414-46-8) is a chemical compound with molecular formula C6H8F2N8O13 and molecular weight 438.02 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-fluoro-2,2-dinitroethyl)-nitroamino]methoxymethyl]nitramide
Also Known As: 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane), N,N'-[Oxybis(methylene)]bis[N-(2-fluoro-2,2-dinitroethyl)nitramide], N-(2-fluoro-2,2-dinitroethyl)-N-[[(2-fluoro-2,2-dinitroethyl)-nitroamino]methoxymethyl]nitramide, RefChem:212413
| Molecular Formula | C6H8F2N8O13 |
|---|---|
| Molecular Weight | 438.02 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 291.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 17 |
| Rotatable Bonds | 8 |
| Exact Mass | 438.01788 |
| Heavy Atoms | 29 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 29414-46-8 |
|---|---|
| SMILES | C(C([N+](=O)[O-])([N+](=O)[O-])F)N(COCN(CC([N+](=O)[O-])([N+](=O)[O-])F)[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | QGCZQMUQUNUTBO-UHFFFAOYSA-N |
Product Overview
1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane) (CAS 29414-46-8), with molecular formula C6H8F2N8O13 and molecular weight 438.02 g/mol. IUPAC: N-(2-fluoro-2,2-dinitroethyl)-N-[[(2-fluoro-2,2-dinitroethyl)-nitroamino]methoxymethyl]nitramide.
Chemical Property Profile of 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane)
Property Insights of 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane)
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane). The TPSA of 291.0 Ų indicates high polarity, suggesting 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane) has 0 hydrogen bond donor(s) and 17 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'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane)?
The CAS number of 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane) is 29414-46-8.
What is the molecular formula of 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane)?
The molecular formula of 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane) is C6H8F2N8O13.
What is the molecular weight of 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane)?
The molecular weight of 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane) is 438.02 g/mol.
Where can I buy 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane)?
You can request a quote for 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane)?
Yes, KEHONG BIO provides custom synthesis services for 1,1'-Oxybis(2,4,4-trinitro-4-fluoro-2-azabutane) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.