2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane
TL;DR: 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane (CAS 12071-17-9) is a chemical compound with molecular formula C11H16O3 and molecular weight 196.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(furan-2-yl)-4,4,6-trimethyl-1,3-dioxane
Also Known As: NCIOpen2_000341, 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane, 2-(furan-2-yl)-4,4,6-trimethyl-1,3-dioxane, 2-furan-2-yl-4,4,6-trimethyl-[1,3]dioxane, 1,3-Dioxane,2-(2-furanyl)-4,4,6-trimethyl-
| Molecular Formula | C11H16O3 |
|---|---|
| Molecular Weight | 196.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 31.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 196.10994 |
| Heavy Atoms | 14 |
| Complexity | 203.0 |
Chemical Identifiers
| CAS Number | 12071-17-9 |
|---|---|
| SMILES | CC1CC(OC(O1)C2=CC=CO2)(C)C |
| InChIKey | SJVWZQYXFRLYQR-UHFFFAOYSA-N |
Product Overview
2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane (CAS 12071-17-9), with molecular formula C11H16O3 and molecular weight 196.11 g/mol. IUPAC: 2-(furan-2-yl)-4,4,6-trimethyl-1,3-dioxane.
Chemical Property Profile of 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane
Property Insights of 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane. With a topological polar surface area (TPSA) of 31.6 Ų, 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane has 0 hydrogen bond donor(s) and 3 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-Furyl)-4,4,6-trimethyl-1,3-dioxane?
The CAS number of 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane is 12071-17-9.
What is the molecular formula of 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane?
The molecular formula of 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane is C11H16O3.
What is the molecular weight of 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane?
The molecular weight of 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane is 196.11 g/mol.
Where can I buy 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane?
You can request a quote for 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Furyl)-4,4,6-trimethyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.