2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane
TL;DR: 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane (CAS 104021-43-4) is a chemical compound with molecular formula C12H15NO5 and molecular weight 253.09502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-(4-methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane
Also Known As: 2-(4-methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane
Technical Specifications
| Molecular Formula | C12H15NO5 |
| Molecular Weight | 253.09502 g/mol |
| XLogP | 1.3 |
| Topological Polar Surface Area (TPSA) | 73.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.09502 Da |
| Heavy Atoms | 18 |
| Complexity | 287.0 |
| SMILES | CC1(COC(OC1)C2=CC=C(C=C2)OC)[N+](=O)[O-] |
| InChIKey | KTGFJAZDMQICIX-UHFFFAOYSA-N |
Chemical Property Profile of 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane
Property Insights of 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane. The TPSA of 73.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane. Following Lipinski's Rule of Five, 2-(4-Methoxyphenyl)-5-methyl-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
What is the CAS number of 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane?
The CAS number of 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane is 104021-43-4.
What is the molecular formula of 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane?
The molecular formula of 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane is C12H15NO5.
What is the molecular weight of 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane?
The molecular weight of 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane is 253.09502 g/mol.
Where can I buy 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane?
You can request a quote for 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane?
Yes, CoreyChem provides custom synthesis services for 2-(4-Methoxyphenyl)-5-methyl-5-nitro-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.