4,4,6-Trimethyl-1,3-dioxane
TL;DR: 4,4,6-Trimethyl-1,3-dioxane (CAS 1123-07-5) is a chemical compound with molecular formula CC1CC(OCO1)(C)C and molecular weight 130.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,6-trimethyl-1,3-dioxane
Also Known As: 4,4,6-Trimethyl-1,3-dioxane, m-Dioxane,4,6-trimethyl-, 1, 4,4,6-trimethyl-, m-Dioxane, 4,4,6-trimethyl-, 4,6-Trimethyl-1,3-dioxane
| Molecular Formula | CC1CC(OCO1)(C)C |
|---|---|
| Molecular Weight | 130.10 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 130.09938 |
| Heavy Atoms | 9 |
| Complexity | 99.0 |
Chemical Identifiers
| CAS Number | 1123-07-5 |
|---|---|
| SMILES | CC1CC(OCO1)(C)C |
| InChIKey | NFRFQWLJPHVZRK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4,4,6-Trimethyl-1,3-dioxane (CAS 1123-07-5), with molecular formula CC1CC(OCO1)(C)C and molecular weight 130.10 g/mol. IUPAC: 4,4,6-trimethyl-1,3-dioxane.
Chemical Property Profile of 4,4,6-Trimethyl-1,3-dioxane
Property Insights of 4,4,6-Trimethyl-1,3-dioxane
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,4,6-Trimethyl-1,3-dioxane. With a topological polar surface area (TPSA) of 18.5 Ų, 4,4,6-Trimethyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4,4,6-Trimethyl-1,3-dioxane has 0 hydrogen bond donor(s) and 2 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 4,4,6-Trimethyl-1,3-dioxane?
The CAS number of 4,4,6-Trimethyl-1,3-dioxane is 1123-07-5.
What is the molecular formula of 4,4,6-Trimethyl-1,3-dioxane?
The molecular formula of 4,4,6-Trimethyl-1,3-dioxane is CC1CC(OCO1)(C)C.
What is the molecular weight of 4,4,6-Trimethyl-1,3-dioxane?
The molecular weight of 4,4,6-Trimethyl-1,3-dioxane is 130.10 g/mol.
Where can I buy 4,4,6-Trimethyl-1,3-dioxane?
You can request a quote for 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 4,4,6-Trimethyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 4,4,6-Trimethyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.