2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane
TL;DR: 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane (CAS 6413-43-0) is a chemical compound with molecular formula C9H17NO4 and molecular weight 203.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,5-diethyl-2-methyl-5-nitro-1,3-dioxane
Also Known As: 2,5-diethyl-2-methyl-5-nitro-1,3-dioxane
| Molecular Formula | C9H17NO4 |
|---|---|
| Molecular Weight | 203.12 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.11575 |
| Heavy Atoms | 14 |
| Complexity | 215.0 |
Chemical Identifiers
| CAS Number | 6413-43-0 |
|---|---|
| SMILES | CCC1(OCC(CO1)(CC)[N+](=O)[O-])C |
| InChIKey | QYALAEJFEUZPIC-UHFFFAOYSA-N |
Product Overview
2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane (CAS 6413-43-0), with molecular formula C9H17NO4 and molecular weight 203.12 g/mol. IUPAC: 2,5-diethyl-2-methyl-5-nitro-1,3-dioxane.
Chemical Property Profile of 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane
Property Insights of 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane. Following Lipinski's Rule of Five, 2,5-Diethyl-2-methyl-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 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane?
The CAS number of 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane is 6413-43-0.
What is the molecular formula of 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane?
The molecular formula of 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane is C9H17NO4.
What is the molecular weight of 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane?
The molecular weight of 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane is 203.12 g/mol.
Where can I buy 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane?
You can request a quote for 2,5-Diethyl-2-methyl-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 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2,5-Diethyl-2-methyl-5-nitro-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.