2-Decyl-5-ethyl-5-nitro-1,3-dioxane
TL;DR: 2-Decyl-5-ethyl-5-nitro-1,3-dioxane (CAS 7000-47-7) is a chemical compound with molecular formula C16H31NO4 and molecular weight 301.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-decyl-5-ethyl-5-nitro-1,3-dioxane
Also Known As: 2-decyl-5-ethyl-5-nitro-1,3-dioxane, 6-nitro-1,3-benzodioxol-5-yl benzoate
| Molecular Formula | C16H31NO4 |
|---|---|
| Molecular Weight | 301.23 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 301.2253 |
| Heavy Atoms | 21 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 7000-47-7 |
|---|---|
| SMILES | CCCCCCCCCCC1OCC(CO1)(CC)[N+](=O)[O-] |
| InChIKey | BFZCAWMNMDGCKE-UHFFFAOYSA-N |
Product Overview
2-Decyl-5-ethyl-5-nitro-1,3-dioxane (CAS 7000-47-7), with molecular formula C16H31NO4 and molecular weight 301.23 g/mol. IUPAC: 2-decyl-5-ethyl-5-nitro-1,3-dioxane.
Chemical Property Profile of 2-Decyl-5-ethyl-5-nitro-1,3-dioxane
Property Insights of 2-Decyl-5-ethyl-5-nitro-1,3-dioxane
The XLogP value of 5.5 indicates that 2-Decyl-5-ethyl-5-nitro-1,3-dioxane is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Decyl-5-ethyl-5-nitro-1,3-dioxane. Following Lipinski's Rule of Five, 2-Decyl-5-ethyl-5-nitro-1,3-dioxane has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Decyl-5-ethyl-5-nitro-1,3-dioxane?
The CAS number of 2-Decyl-5-ethyl-5-nitro-1,3-dioxane is 7000-47-7.
What is the molecular formula of 2-Decyl-5-ethyl-5-nitro-1,3-dioxane?
The molecular formula of 2-Decyl-5-ethyl-5-nitro-1,3-dioxane is C16H31NO4.
What is the molecular weight of 2-Decyl-5-ethyl-5-nitro-1,3-dioxane?
The molecular weight of 2-Decyl-5-ethyl-5-nitro-1,3-dioxane is 301.23 g/mol.
Where can I buy 2-Decyl-5-ethyl-5-nitro-1,3-dioxane?
You can request a quote for 2-Decyl-5-ethyl-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-Decyl-5-ethyl-5-nitro-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-Decyl-5-ethyl-5-nitro-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.