![2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione structure](/static/products/441/441313-84-4.png)
2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione
TL;DR: 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione (CAS 441313-84-4) is a chemical compound with molecular formula C21H21NO7 and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-2-methyl-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-1,3-dioxane-4,6-dione
Also Known As: 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione, 2-(tert-butyl)-2-methyl-5-((5-(4-methyl-3-nitrophenyl)furan-2-yl)methylene)-1,3-dioxane-4,6-dione, 2-tert-butyl-2-methyl-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-1,3-dioxane-4,6-dione
| Molecular Formula | C21H21NO7 |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 4.40892 |
| Topological Polar Surface Area | 108.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 399.1318 |
| Heavy Atoms | 29 |
| Complexity | 1019.5393 |
Chemical Identifiers
| CAS Number | 441313-84-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C2=CC=C(O2)C=C3C(=O)OC(OC3=O)(C)C(C)(C)C)[N+](=O)[O-] |
Product Overview
2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione (CAS 441313-84-4), with molecular formula C21H21NO7 and molecular weight 399.13 g/mol. IUPAC: 2-tert-butyl-2-methyl-5-[[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene]-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione
Property Insights of 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione
The XLogP value of 4.40892 indicates that 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-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-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-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-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione?
The CAS number of 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione is 441313-84-4.
What is the molecular formula of 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione?
The molecular formula of 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione is C21H21NO7.
What is the molecular weight of 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione?
The molecular weight of 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione is 399.13 g/mol.
Where can I buy 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione?
You can request a quote for 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-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-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-butyl-2-methyl-5-{[5-(4-methyl-3-nitrophenyl)furan-2-yl]methylidene}-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.