1,4-Dioxane-2,5-diyl diacetate
TL;DR: 1,4-Dioxane-2,5-diyl diacetate (CAS 106483-68-5) is a chemical compound with molecular formula C8H12O6 and molecular weight 204.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-acetyloxy-1,4-dioxan-2-yl) acetate
Also Known As: 1,4-dioxane-2,5-diyl diacetate, (5-acetyloxy-1,4-dioxan-2-yl) acetate
| Molecular Formula | C8H12O6 |
|---|---|
| Molecular Weight | 204.06 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 204.06339 |
| Heavy Atoms | 14 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 106483-68-5 |
|---|---|
| SMILES | CC(=O)OC1COC(CO1)OC(=O)C |
| InChIKey | NTODSQZMFWVBFF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dioxane-2,5-diyl diacetate (CAS 106483-68-5), with molecular formula C8H12O6 and molecular weight 204.06 g/mol. IUPAC: (5-acetyloxy-1,4-dioxan-2-yl) acetate.
Chemical Property Profile of 1,4-Dioxane-2,5-diyl diacetate
Property Insights of 1,4-Dioxane-2,5-diyl diacetate
The XLogP value of -0.2 indicates that 1,4-Dioxane-2,5-diyl diacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dioxane-2,5-diyl diacetate. Following Lipinski's Rule of Five, 1,4-Dioxane-2,5-diyl diacetate has 0 hydrogen bond donor(s) and 6 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-2,5-diyl diacetate?
The CAS number of 1,4-Dioxane-2,5-diyl diacetate is 106483-68-5.
What is the molecular formula of 1,4-Dioxane-2,5-diyl diacetate?
The molecular formula of 1,4-Dioxane-2,5-diyl diacetate is C8H12O6.
What is the molecular weight of 1,4-Dioxane-2,5-diyl diacetate?
The molecular weight of 1,4-Dioxane-2,5-diyl diacetate is 204.06 g/mol.
Where can I buy 1,4-Dioxane-2,5-diyl diacetate?
You can request a quote for 1,4-Dioxane-2,5-diyl diacetate 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-2,5-diyl diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dioxane-2,5-diyl diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.