5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane
TL;DR: 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane (CAS 4064-94-2) is a chemical compound with molecular formula C8H15NO4 and molecular weight 189.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-2,2-dimethyl-5-nitro-1,3-dioxane
Also Known As: 5-ethyl-2,2-dimethyl-5-nitro-1,3-dioxane, 5-ethyl-2,2-dimethyl-5-nitro-[1,3]dioxane, 1,3-Dioxane,5-ethyl-2,2-dimethyl-5-nitro-
| Molecular Formula | C8H15NO4 |
|---|---|
| Molecular Weight | 189.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 189.10011 |
| Heavy Atoms | 13 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 4064-94-2 |
|---|---|
| SMILES | CCC1(COC(OC1)(C)C)[N+](=O)[O-] |
| InChIKey | NXQSEIQWULTBHS-UHFFFAOYSA-N |
Product Overview
5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane (CAS 4064-94-2), with molecular formula C8H15NO4 and molecular weight 189.10 g/mol. IUPAC: 5-ethyl-2,2-dimethyl-5-nitro-1,3-dioxane.
Chemical Property Profile of 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane
Property Insights of 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane. Following Lipinski's Rule of Five, 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane has 0 hydrogen bond donor(s) and 4 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-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane?
The CAS number of 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane is 4064-94-2.
What is the molecular formula of 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane?
The molecular formula of 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane is C8H15NO4.
What is the molecular weight of 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane?
The molecular weight of 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane is 189.10 g/mol.
Where can I buy 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane?
You can request a quote for 5-Ethyl-2,2-dimethyl-5-nitro-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-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-2,2-dimethyl-5-nitro-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.