2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione
TL;DR: 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione (CAS 686276-83-5) is a chemical compound with molecular formula C6H7NO6 and molecular weight 189.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-nitro-1,3-dioxane-4,6-dione
Also Known As: 2,2-dimethyl-5-nitro-1,3-dioxane-4,6-dione
| Molecular Formula | C6H7NO6 |
|---|---|
| Molecular Weight | 189.03 g/mol |
| LogP | -0.5322 |
| Topological Polar Surface Area | 95.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.02734 |
| Heavy Atoms | 13 |
| Complexity | 262.84906 |
Chemical Identifiers
| CAS Number | 686276-83-5 |
|---|---|
| SMILES | CC1(OC(=O)C(C(=O)O1)[N+](=O)[O-])C |
Product Overview
2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione (CAS 686276-83-5), with molecular formula C6H7NO6 and molecular weight 189.03 g/mol. IUPAC: 2,2-dimethyl-5-nitro-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione
Property Insights of 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione
The XLogP value of -0.5322 indicates that 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 95.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione 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 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione?
The CAS number of 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione is 686276-83-5.
What is the molecular formula of 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione?
The molecular formula of 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione is C6H7NO6.
What is the molecular weight of 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione?
The molecular weight of 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione is 189.03 g/mol.
Where can I buy 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione?
You can request a quote for 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-nitro-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.