2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione
TL;DR: 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione (CAS 425652-26-2) is a chemical compound with molecular formula C17H19NO8 and molecular weight 365.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione
Also Known As: 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione, 2-(tert-butyl)-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione, 2-(tert-butyl)-5-[(4-hydroxy-5-methoxy-3-nitrophenyl)methylene]-2-methyl-1,3-d ioxane-4,6-dione, 2-tert-butyl-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione, 5-[(4-hydroxy-3-methoxy-5-nitro-phenyl)methylidene]-2-methyl-2-tert-butyl-1,3-dioxane-4,6-dione
| Molecular Formula | C17H19NO8 |
|---|---|
| Molecular Weight | 365.11 g/mol |
| LogP | 2.5547 |
| Topological Polar Surface Area | 125.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 3 |
| Exact Mass | 365.11105 |
| Heavy Atoms | 26 |
| Complexity | 798.7872 |
Chemical Identifiers
| CAS Number | 425652-26-2 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC(=C(C(=C2)OC)O)[N+](=O)[O-])C(=O)O1)C(C)(C)C |
Product Overview
2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione (CAS 425652-26-2), with molecular formula C17H19NO8 and molecular weight 365.11 g/mol. IUPAC: 2-tert-butyl-5-[(4-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione
Property Insights of 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione
The XLogP value of 2.5547 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione. The TPSA of 125.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione has 1 hydrogen bond donor(s) and 8 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-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
The CAS number of 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione is 425652-26-2.
What is the molecular formula of 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
The molecular formula of 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione is C17H19NO8.
What is the molecular weight of 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
The molecular weight of 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione is 365.11 g/mol.
Where can I buy 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
You can request a quote for 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-5-(4-hydroxy-3-methoxy-5-nitrobenzylidene)-2-methyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.