5,5-Dinitro-1,3-dioxane
TL;DR: 5,5-Dinitro-1,3-dioxane (CAS 4776-97-0) is a chemical compound with molecular formula C4H6N2O6 and molecular weight 178.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dinitro-1,3-dioxane
Also Known As: 5,5-Dinitro-1,3-dioxane, 5,3-dioxane, 1,3-Dioxane, 5,5-dinitro-, 1,3-Dioxane,5,5-dinitro, NCI60_027660
| Molecular Formula | C4H6N2O6 |
|---|---|
| Molecular Weight | 178.02 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 178.02258 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 4776-97-0 |
|---|---|
| SMILES | C1C(COCO1)([N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | RDADUROBQIJEIM-UHFFFAOYSA-N |
Product Overview
5,5-Dinitro-1,3-dioxane (CAS 4776-97-0), with molecular formula C4H6N2O6 and molecular weight 178.02 g/mol. IUPAC: 5,5-dinitro-1,3-dioxane.
Chemical Property Profile of 5,5-Dinitro-1,3-dioxane
Property Insights of 5,5-Dinitro-1,3-dioxane
The XLogP value of -0.5 indicates that 5,5-Dinitro-1,3-dioxane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dinitro-1,3-dioxane. Following Lipinski's Rule of Five, 5,5-Dinitro-1,3-dioxane has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5,5-Dinitro-1,3-dioxane?
The CAS number of 5,5-Dinitro-1,3-dioxane is 4776-97-0.
What is the molecular formula of 5,5-Dinitro-1,3-dioxane?
The molecular formula of 5,5-Dinitro-1,3-dioxane is C4H6N2O6.
What is the molecular weight of 5,5-Dinitro-1,3-dioxane?
The molecular weight of 5,5-Dinitro-1,3-dioxane is 178.02 g/mol.
Where can I buy 5,5-Dinitro-1,3-dioxane?
You can request a quote for 5,5-Dinitro-1,3-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5,5-Dinitro-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dinitro-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.