2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione
TL;DR: 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione (CAS 690697-21-3) is a chemical compound with molecular formula C16H17IO5 and molecular weight 416.01 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-iodophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione
Also Known As: 2-tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione, 2-(tert-butyl)-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione, 2-tert-butyl-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione
| Molecular Formula | C16H17IO5 |
|---|---|
| Molecular Weight | 416.01 g/mol |
| LogP | 3.2425 |
| Topological Polar Surface Area | 72.83 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 416.0121 |
| Heavy Atoms | 22 |
| Complexity | 649.604 |
Chemical Identifiers
| CAS Number | 690697-21-3 |
|---|---|
| SMILES | CC1(OC(=O)C(=CC2=CC(=C(C=C2)O)I)C(=O)O1)C(C)(C)C |
Product Overview
2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione (CAS 690697-21-3), with molecular formula C16H17IO5 and molecular weight 416.01 g/mol. IUPAC: 2-tert-butyl-5-[(4-hydroxy-3-iodophenyl)methylidene]-2-methyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione
Property Insights of 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione
The XLogP value of 3.2425 indicates that 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione. Following Lipinski's Rule of Five, 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione has 1 hydrogen bond donor(s) and 5 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-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
The CAS number of 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione is 690697-21-3.
What is the molecular formula of 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
The molecular formula of 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione is C16H17IO5.
What is the molecular weight of 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
The molecular weight of 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione is 416.01 g/mol.
Where can I buy 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
You can request a quote for 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-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-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Tert-butyl-5-(4-hydroxy-3-iodobenzylidene)-2-methyl-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.