1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)-
TL;DR: 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)- (CAS 79718-94-8) 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-(2-nitrophenyl)-1,3-dioxane
Also Known As: 5,5-dimethyl-2-(2-nitrophenyl)-1,3-dioxane, 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)-, J2.056.808I, 2-Nitrobenzaldehyde 2,2-dimethylpropane-1,3-diyl acetal, A3996/0170279
| 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 | 79718-94-8 |
|---|---|
| SMILES | CC1(COC(OC1)C2=CC=CC=C2[N+](=O)[O-])C |
| InChIKey | PSKJVABQWREEDF-UHFFFAOYSA-N |
Product Overview
1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)- (CAS 79718-94-8), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: 5,5-dimethyl-2-(2-nitrophenyl)-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)-
Property Insights of 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)-. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)-. Following Lipinski's Rule of Five, 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)- 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 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)-?
The CAS number of 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)- is 79718-94-8.
What is the molecular formula of 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)-?
The molecular formula of 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)- is C12H15NO4.
What is the molecular weight of 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)-?
The molecular weight of 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)- is 237.10 g/mol.
Where can I buy 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)-?
You can request a quote for 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 5,5-dimethyl-2-(2-nitrophenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.