2-Methyl-1,3-dioxane-5,5-dimethanol
TL;DR: 2-Methyl-1,3-dioxane-5,5-dimethanol (CAS 5653-70-3) is a chemical compound with molecular formula C7H14O4 and molecular weight 162.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(hydroxymethyl)-2-methyl-1,3-dioxan-5-yl]methanol
Also Known As: acidacetyl-Butanedioic, 2-Methyl-1,3-dioxane-5,5-dimethanol, 1,3-dioxane-5,5-dimethanol, 2-methyl-, [5-(hydroxymethyl)-2-methyl-1,3-dioxan-5-yl]methanol, (2-methyl-1,3-dioxane-5,5-diyl)dimethanol
| Molecular Formula | C7H14O4 |
|---|---|
| Molecular Weight | 162.09 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 58.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 162.0892 |
| Heavy Atoms | 11 |
| Complexity | 112.0 |
Chemical Identifiers
| CAS Number | 5653-70-3 |
|---|---|
| SMILES | CC1OCC(CO1)(CO)CO |
| InChIKey | QYSOFXYWZFPSCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Methyl-1,3-dioxane-5,5-dimethanol (CAS 5653-70-3), with molecular formula C7H14O4 and molecular weight 162.09 g/mol. IUPAC: [5-(hydroxymethyl)-2-methyl-1,3-dioxan-5-yl]methanol.
Chemical Property Profile of 2-Methyl-1,3-dioxane-5,5-dimethanol
Property Insights of 2-Methyl-1,3-dioxane-5,5-dimethanol
The XLogP value of -1.0 indicates that 2-Methyl-1,3-dioxane-5,5-dimethanol 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, 2-Methyl-1,3-dioxane-5,5-dimethanol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methyl-1,3-dioxane-5,5-dimethanol 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 2-Methyl-1,3-dioxane-5,5-dimethanol?
The CAS number of 2-Methyl-1,3-dioxane-5,5-dimethanol is 5653-70-3.
What is the molecular formula of 2-Methyl-1,3-dioxane-5,5-dimethanol?
The molecular formula of 2-Methyl-1,3-dioxane-5,5-dimethanol is C7H14O4.
What is the molecular weight of 2-Methyl-1,3-dioxane-5,5-dimethanol?
The molecular weight of 2-Methyl-1,3-dioxane-5,5-dimethanol is 162.09 g/mol.
Where can I buy 2-Methyl-1,3-dioxane-5,5-dimethanol?
You can request a quote for 2-Methyl-1,3-dioxane-5,5-dimethanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-1,3-dioxane-5,5-dimethanol?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-1,3-dioxane-5,5-dimethanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.