2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione
TL;DR: 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione (CAS 62018-49-9) is a chemical compound with molecular formula C9H14O4 and molecular weight 186.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Also Known As: 2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione, 2-(tert-butyl)-2-methyl-1,3-dioxane-4,6-dione, 2-methyl-2-t-butyl-1,3-dioxane-4,6-dione, J2.128.659A, 2-methyl-2-tert-butyl-1,3-dioxane-4,6-dione
| Molecular Formula | C9H14O4 |
|---|---|
| Molecular Weight | 186.09 g/mol |
| LogP | 1.2388 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.0892 |
| Heavy Atoms | 13 |
| Complexity | 232.83054 |
Chemical Identifiers
| CAS Number | 62018-49-9 |
|---|---|
| SMILES | CC1(OC(=O)CC(=O)O1)C(C)(C)C |
Product Overview
2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione (CAS 62018-49-9), with molecular formula C9H14O4 and molecular weight 186.09 g/mol. IUPAC: 2-tert-butyl-2-methyl-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione
Property Insights of 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione
The XLogP value of 1.2388 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione has 0 hydrogen bond donor(s) and 4 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-1,3-dioxane-4,6-dione?
The CAS number of 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione is 62018-49-9.
What is the molecular formula of 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione?
The molecular formula of 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione is C9H14O4.
What is the molecular weight of 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione?
The molecular weight of 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione is 186.09 g/mol.
Where can I buy 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione?
You can request a quote for 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 2-Tert-butyl-2-methyl-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 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.