![2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione structure](/static/products/710/710305-02-5.png)
2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione
TL;DR: 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione (CAS 710305-02-5) is a chemical compound with molecular formula C20H18BrNO7 and molecular weight 463.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Also Known As: 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione, 5-((5-(2-bromo-4-nitrophenyl)furan-2-yl)methylene)-2-(tert-butyl)-2-methyl-1,3-dioxane-4,6-dione, 5-[[5-(2-bromo-4-nitro-phenyl)-2-furyl]methylidene]-2-methyl-2-tert-butyl-1,3-dioxane-4,6-dione, 5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione, 5-{[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene}-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
| Molecular Formula | C20H18BrNO7 |
|---|---|
| Molecular Weight | 463.03 g/mol |
| LogP | 4.863 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 463.02667 |
| Heavy Atoms | 29 |
| Complexity | 1025.3395 |
Chemical Identifiers
| CAS Number | 710305-02-5 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)[N+](=O)[O-])Br)C(=O)O1)C(C)(C)C |
Product Overview
2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione (CAS 710305-02-5), with molecular formula C20H18BrNO7 and molecular weight 463.03 g/mol. IUPAC: 5-[[5-(2-bromo-4-nitrophenyl)furan-2-yl]methylidene]-2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione
Property Insights of 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione
The XLogP value of 4.863 indicates that 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 108.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione. Following Lipinski's Rule of Five, 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione has 0 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 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione?
The CAS number of 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione is 710305-02-5.
What is the molecular formula of 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione?
The molecular formula of 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione is C20H18BrNO7.
What is the molecular weight of 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione?
The molecular weight of 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione is 463.03 g/mol.
Where can I buy 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione?
You can request a quote for 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-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-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-butyl)-5-{[5-(2-bromo-4-nitrophenyl)(2-furyl)]methylene}-2-methyl-1,3- dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.