5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane
TL;DR: 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane (CAS 6942-26-3) is a chemical compound with molecular formula C13H17NO5 and molecular weight 267.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane
Also Known As: 5-ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane
| Molecular Formula | C13H17NO5 |
|---|---|
| Molecular Weight | 267.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 267.1107 |
| Heavy Atoms | 19 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 6942-26-3 |
|---|---|
| SMILES | CCC1(COC(OC1)C2=CC=C(C=C2)OC)[N+](=O)[O-] |
| InChIKey | MVQYOJJHJXRIRC-UHFFFAOYSA-N |
Product Overview
5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane (CAS 6942-26-3), with molecular formula C13H17NO5 and molecular weight 267.11 g/mol. IUPAC: 5-ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane.
Chemical Property Profile of 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane
Property Insights of 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane. Following Lipinski's Rule of Five, 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane has 0 hydrogen bond donor(s) and 5 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-(4-methoxyphenyl)-5-nitro-1,3-dioxane?
The CAS number of 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane is 6942-26-3.
What is the molecular formula of 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane?
The molecular formula of 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane is C13H17NO5.
What is the molecular weight of 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane?
The molecular weight of 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane is 267.11 g/mol.
Where can I buy 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane?
You can request a quote for 5-Ethyl-2-(4-methoxyphenyl)-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-(4-methoxyphenyl)-5-nitro-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5-Ethyl-2-(4-methoxyphenyl)-5-nitro-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.