5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane
TL;DR: 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane (CAS 23281-36-9) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,5-dimethyl-2-(3-nitrophenyl)-1,3-dioxane
Also Known As: 5,5-dimethyl-2-(3-nitrophenyl)-1,3-dioxane, 1,3-Dioxane,5,5-dimethyl-2-(3-nitrophenyl)-, 5,5-dimethyl-2-(3'-nitrophenyl)-1,3-dioxane
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
Chemical Identifiers
| CAS Number | 23281-36-9 |
|---|---|
| SMILES | CC1(COC(OC1)C2=CC(=CC=C2)[N+](=O)[O-])C |
| InChIKey | FSETUSRKOSOTEQ-UHFFFAOYSA-N |
Product Overview
5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane (CAS 23281-36-9), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 5,5-dimethyl-2-(3-nitrophenyl)-1,3-dioxane.
Chemical Property Profile of 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane
Property Insights of 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane. Following Lipinski's Rule of Five, 5,5-Dimethyl-2-(3-nitrophenyl)-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 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane?
The CAS number of 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane is 23281-36-9.
What is the molecular formula of 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane?
The molecular formula of 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane is C12H15NO4.
What is the molecular weight of 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane?
The molecular weight of 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane is 237.10 g/mol.
Where can I buy 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane?
You can request a quote for 5,5-Dimethyl-2-(3-nitrophenyl)-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 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 5,5-Dimethyl-2-(3-nitrophenyl)-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.