1,4-Dioxane-2,3-diol
TL;DR: 1,4-Dioxane-2,3-diol (CAS 4845-50-5) is a chemical compound with molecular formula C4H8O4 and molecular weight 120.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dioxane-2,3-diol
Also Known As: 1,4-Dioxane-2,3-diol, Dioxanediol, p-Dioxane-2,3-diol, 2,3-Dihydroxy-1,4-dioxane, 2,4-dioxane
| Molecular Formula | C4H8O4 |
|---|---|
| Molecular Weight | 120.04 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 120.04226 |
| Heavy Atoms | 8 |
| Complexity | 64.0 |
Chemical Identifiers
| CAS Number | 4845-50-5 |
|---|---|
| SMILES | C1COC(C(O1)O)O |
| InChIKey | YLVACWCCJCZITJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dioxane-2,3-diol (CAS 4845-50-5), with molecular formula C4H8O4 and molecular weight 120.04 g/mol. IUPAC: 1,4-dioxane-2,3-diol.
Chemical Property Profile of 1,4-Dioxane-2,3-diol
Property Insights of 1,4-Dioxane-2,3-diol
The XLogP value of -1.3 indicates that 1,4-Dioxane-2,3-diol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.9 Ų, 1,4-Dioxane-2,3-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dioxane-2,3-diol has 2 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-2,3-diol?
The CAS number of 1,4-Dioxane-2,3-diol is 4845-50-5.
What is the molecular formula of 1,4-Dioxane-2,3-diol?
The molecular formula of 1,4-Dioxane-2,3-diol is C4H8O4.
What is the molecular weight of 1,4-Dioxane-2,3-diol?
The molecular weight of 1,4-Dioxane-2,3-diol is 120.04 g/mol.
Where can I buy 1,4-Dioxane-2,3-diol?
You can request a quote for 1,4-Dioxane-2,3-diol 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-2,3-diol?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dioxane-2,3-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.