5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
TL;DR: 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione (CAS 690685-24-6) is a chemical compound with molecular formula C16H16BrNO7 and molecular weight 413.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Also Known As: 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione, 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-(tert-butyl)-2-methyl-1,3-dioxane-4,6-dione, 5-[(3-bromo-4-hydroxy-5-nitro-phenyl)methylidene]-2-methyl-2-tert-butyl-1,3-dioxane-4,6-dione, 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
| Molecular Formula | C16H16BrNO7 |
|---|---|
| Molecular Weight | 413.01 g/mol |
| LogP | 3.3086 |
| Topological Polar Surface Area | 115.97 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.01102 |
| Heavy Atoms | 25 |
| Complexity | 787.43665 |
Chemical Identifiers
| CAS Number | 690685-24-6 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC(=C(C(=C2)Br)O)[N+](=O)[O-])C(=O)O1)C(C)(C)C |
Product Overview
5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione (CAS 690685-24-6), with molecular formula C16H16BrNO7 and molecular weight 413.01 g/mol. IUPAC: 5-[(3-bromo-4-hydroxy-5-nitrophenyl)methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Property Insights of 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
The XLogP value of 3.3086 indicates that 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.97 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione has 1 hydrogen bond donor(s) and 7 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-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione?
The CAS number of 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione is 690685-24-6.
What is the molecular formula of 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione?
The molecular formula of 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione is C16H16BrNO7.
What is the molecular weight of 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione?
The molecular weight of 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione is 413.01 g/mol.
Where can I buy 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione?
You can request a quote for 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-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 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-bromo-4-hydroxy-5-nitrobenzylidene)-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.