2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione
TL;DR: 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione (CAS 145544-03-2) is a chemical compound with molecular formula C12H12O4 and molecular weight 220.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane-4,6-dione
Also Known As: 2,2-dimethyl-5,5-diprop-2-ynyl-1,3-dioxane-4,6-dione, Maybridge1_003105, N-(2-Aminoethyl)morpholine, 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane-4,6-dione, 1,3-Dioxane-4,6-dione,2,2-dimethyl-5,5-di-2-propyn-1-yl-
| Molecular Formula | C12H12O4 |
|---|---|
| Molecular Weight | 220.07 g/mol |
| LogP | 0.8555 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.07356 |
| Heavy Atoms | 16 |
| Complexity | 367.71515 |
Chemical Identifiers
| CAS Number | 145544-03-2 |
|---|---|
| SMILES | CC1(OC(=O)C(C(=O)O1)(CC#C)CC#C)C |
Product Overview
2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione (CAS 145544-03-2), with molecular formula C12H12O4 and molecular weight 220.07 g/mol. IUPAC: 2,2-dimethyl-5,5-bis(prop-2-ynyl)-1,3-dioxane-4,6-dione.
Chemical Property Profile of 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione
Property Insights of 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione
The XLogP value of 0.8555 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione. With a topological polar surface area (TPSA) of 52.6 Ų, 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-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-5,5-di(prop-2-yn-1-yl)-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-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione?
The CAS number of 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione is 145544-03-2.
What is the molecular formula of 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione?
The molecular formula of 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione is C12H12O4.
What is the molecular weight of 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione?
The molecular weight of 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione is 220.07 g/mol.
Where can I buy 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione?
You can request a quote for 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-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-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione?
Yes, KEHONG BIO provides custom synthesis services for 2,2-Dimethyl-5,5-di(prop-2-yn-1-yl)-1,3-dioxane-4,6-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.