1,4-Dioxane-2-methanol, 2-acetate
TL;DR: 1,4-Dioxane-2-methanol, 2-acetate (CAS 68391-40-2) is a chemical compound with molecular formula C7H12O4 and molecular weight 160.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dioxan-2-ylmethyl acetate
Also Known As: 1,4-Dioxane-2-methyl acetate, 1,4-dioxan-2-ylmethyl acetate, 1,4-Dioxane-2-methanol, acetate, 1,4-Dioxane-2-methanol, 2-acetate, 2-Acetoxymethyl-1,4-dioxane
| Molecular Formula | C7H12O4 |
|---|---|
| Molecular Weight | 160.07 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 160.07356 |
| Heavy Atoms | 11 |
| Complexity | 134.0 |
Chemical Identifiers
| CAS Number | 68391-40-2 |
|---|---|
| SMILES | CC(=O)OCC1COCCO1 |
| InChIKey | QGQCGVLLMHQWSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dioxane-2-methanol, 2-acetate (CAS 68391-40-2), with molecular formula C7H12O4 and molecular weight 160.07 g/mol. IUPAC: 1,4-dioxan-2-ylmethyl acetate.
Chemical Property Profile of 1,4-Dioxane-2-methanol, 2-acetate
Property Insights of 1,4-Dioxane-2-methanol, 2-acetate
The XLogP value of -0.3 indicates that 1,4-Dioxane-2-methanol, 2-acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 44.8 Ų, 1,4-Dioxane-2-methanol, 2-acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dioxane-2-methanol, 2-acetate 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 1,4-Dioxane-2-methanol, 2-acetate?
The CAS number of 1,4-Dioxane-2-methanol, 2-acetate is 68391-40-2.
What is the molecular formula of 1,4-Dioxane-2-methanol, 2-acetate?
The molecular formula of 1,4-Dioxane-2-methanol, 2-acetate is C7H12O4.
What is the molecular weight of 1,4-Dioxane-2-methanol, 2-acetate?
The molecular weight of 1,4-Dioxane-2-methanol, 2-acetate is 160.07 g/mol.
Where can I buy 1,4-Dioxane-2-methanol, 2-acetate?
You can request a quote for 1,4-Dioxane-2-methanol, 2-acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dioxane-2-methanol, 2-acetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dioxane-2-methanol, 2-acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.