![1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]- structure](/static/products/1628/16286-25-2.webp)
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-
TL;DR: 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]- (CAS 16286-25-2) is a chemical compound with molecular formula C13H11NO6 and molecular weight 277.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-[(3-nitrophenyl)methylidene]-1,3-dioxane-4,6-dione
Also Known As: 3-Nitro-benzyliden-meldrumsaeure, 2,2-dimethyl-5-[(3-nitrophenyl)methylidene]-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-, 2,2-Dimethyl-5-(3-nitrobenzylidene)-1,3-dioxane-4,6-dione, Malonic acid, (m-nitrobenzylidene)-, cyclic isopropylidene ester
| Molecular Formula | C13H11NO6 |
|---|---|
| Molecular Weight | 277.06 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 98.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 277.05862 |
| Heavy Atoms | 20 |
| Complexity | 454.0 |
Chemical Identifiers
| CAS Number | 16286-25-2 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC(=CC=C2)[N+](=O)[O-])C(=O)O1)C |
| InChIKey | QNQMAOGVJKYURH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]- (CAS 16286-25-2), with molecular formula C13H11NO6 and molecular weight 277.06 g/mol. IUPAC: 2,2-dimethyl-5-[(3-nitrophenyl)methylidene]-1,3-dioxane-4,6-dione.
Chemical Property Profile of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-
Property Insights of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-. The TPSA of 98.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-. Following Lipinski's Rule of Five, 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]- has 0 hydrogen bond donor(s) and 6 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-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-?
The CAS number of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]- is 16286-25-2.
What is the molecular formula of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-?
The molecular formula of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]- is C13H11NO6.
What is the molecular weight of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-?
The molecular weight of 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]- is 277.06 g/mol.
Where can I buy 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-?
You can request a quote for 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]- 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-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane-4,6-dione, 2,2-dimethyl-5-[(3-nitrophenyl)methylene]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.