2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione
TL;DR: 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione (CAS 400080-18-4) is a chemical compound with molecular formula C17H24O4 and molecular weight 292.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione
Also Known As: 2,2-dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione, 2,2-dimethyl-5-(2-methyladamantan-2-yl)-1,3-dioxane-4,6-dione, 3E-927
| Molecular Formula | C17H24O4 |
|---|---|
| Molecular Weight | 292.17 g/mol |
| LogP | 2.9011 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 292.16745 |
| Heavy Atoms | 21 |
| Complexity | 458.9195 |
Chemical Identifiers
| CAS Number | 400080-18-4 |
|---|---|
| SMILES | CC1(OC(=O)C(C(=O)O1)C2(C3CC4CC(C3)CC2C4)C)C |
Product Overview
2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione (CAS 400080-18-4), with molecular formula C17H24O4 and molecular weight 292.17 g/mol. IUPAC: 2,2-dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione
Property Insights of 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione
The XLogP value of 2.9011 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-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 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione?
The CAS number of 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione is 400080-18-4.
What is the molecular formula of 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione?
The molecular formula of 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione is C17H24O4.
What is the molecular weight of 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione?
The molecular weight of 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione is 292.17 g/mol.
Where can I buy 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione?
You can request a quote for 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-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 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5-(2-methyl-2-adamantyl)-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.