2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione
TL;DR: 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione (CAS 710304-77-1) is a chemical compound with molecular formula C17H19IO6 and molecular weight 446.02 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-iodo-5-methoxyphenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione
Also Known As: 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione, 2-tert-butyl-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione, 2-(tert-butyl)-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylene]-2-methyl-1,3-di oxane-4,6-dione, 2-tert-butyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione, 5-[(4-hydroxy-3-iodo-5-methoxy-phenyl)methylidene]-2-methyl-2-tert-butyl-1,3-dioxane-4,6-dione
| Molecular Formula | C17H19IO6 |
|---|---|
| Molecular Weight | 446.02 g/mol |
| LogP | 3.2511 |
| Topological Polar Surface Area | 82.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 446.02264 |
| Heavy Atoms | 24 |
| Complexity | 709.33167 |
Chemical Identifiers
| CAS Number | 710304-77-1 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC(=C(C(=C2)I)O)OC)C(=O)O1)C(C)(C)C |
Product Overview
2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione (CAS 710304-77-1), with molecular formula C17H19IO6 and molecular weight 446.02 g/mol. IUPAC: 2-tert-butyl-5-[(4-hydroxy-3-iodo-5-methoxyphenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione
Property Insights of 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione
The XLogP value of 3.2511 indicates that 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.06 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione has 1 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 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
The CAS number of 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione is 710304-77-1.
What is the molecular formula of 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
The molecular formula of 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione is C17H19IO6.
What is the molecular weight of 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
The molecular weight of 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione is 446.02 g/mol.
Where can I buy 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
You can request a quote for 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-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-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-(tert-butyl)-5-(4-hydroxy-3-iodo-5-methoxybenzylidene)-2-methyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.