2-(4-Nitrophenyl)-1,3-dioxane
TL;DR: 2-(4-Nitrophenyl)-1,3-dioxane (CAS 833-64-7) is a chemical compound with molecular formula C10H11NO4 and molecular weight 209.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitrophenyl)-1,3-dioxane
Also Known As: 2-(4-Nitrophenyl)-1,3-dioxane, 1,3-Dioxane, 2-(4-nitrophenyl)-, 2-(p-Nitrophenyl)-m-dioxane, 2-(p-Nitrophenyl)-1,3-dioxane, m-Dioxane, 2-(p-nitrophenyl)-
| Molecular Formula | C10H11NO4 |
|---|---|
| Molecular Weight | 209.07 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.0688 |
| Heavy Atoms | 15 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 833-64-7 |
|---|---|
| SMILES | C1COC(OC1)C2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | BNIKCZNNRBDPAY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(4-Nitrophenyl)-1,3-dioxane (CAS 833-64-7), with molecular formula C10H11NO4 and molecular weight 209.07 g/mol. IUPAC: 2-(4-nitrophenyl)-1,3-dioxane.
Chemical Property Profile of 2-(4-Nitrophenyl)-1,3-dioxane
Property Insights of 2-(4-Nitrophenyl)-1,3-dioxane
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Nitrophenyl)-1,3-dioxane. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Nitrophenyl)-1,3-dioxane. Following Lipinski's Rule of Five, 2-(4-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 2-(4-Nitrophenyl)-1,3-dioxane?
The CAS number of 2-(4-Nitrophenyl)-1,3-dioxane is 833-64-7.
What is the molecular formula of 2-(4-Nitrophenyl)-1,3-dioxane?
The molecular formula of 2-(4-Nitrophenyl)-1,3-dioxane is C10H11NO4.
What is the molecular weight of 2-(4-Nitrophenyl)-1,3-dioxane?
The molecular weight of 2-(4-Nitrophenyl)-1,3-dioxane is 209.07 g/mol.
Where can I buy 2-(4-Nitrophenyl)-1,3-dioxane?
You can request a quote for 2-(4-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 2-(4-Nitrophenyl)-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Nitrophenyl)-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.