4-Methyl-4-hydroxyethyl-1,3-dioxane
TL;DR: 4-Methyl-4-hydroxyethyl-1,3-dioxane (CAS 2018-45-3) is a chemical compound with molecular formula C7H14O3 and molecular weight 146.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methyl-1,3-dioxan-4-yl)ethanol
Also Known As: m-Dioxane-4-ethanol, 4-methyl-, MHEMD, starbld0016181, 4-Methyl-m-dioxane-4-ethanol, 4-(2-Hydroxyethyl)-4-methyl-1,3-dioxane
| Molecular Formula | C7H14O3 |
|---|---|
| Molecular Weight | 146.09 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 146.0943 |
| Heavy Atoms | 10 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 2018-45-3 |
|---|---|
| SMILES | CC1(CCOCO1)CCO |
| InChIKey | OAVPPFPSHUKFPJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Methyl-4-hydroxyethyl-1,3-dioxane (CAS 2018-45-3), with molecular formula C7H14O3 and molecular weight 146.09 g/mol. IUPAC: 2-(4-methyl-1,3-dioxan-4-yl)ethanol.
Chemical Property Profile of 4-Methyl-4-hydroxyethyl-1,3-dioxane
Property Insights of 4-Methyl-4-hydroxyethyl-1,3-dioxane
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Methyl-4-hydroxyethyl-1,3-dioxane. With a topological polar surface area (TPSA) of 38.7 Ų, 4-Methyl-4-hydroxyethyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Methyl-4-hydroxyethyl-1,3-dioxane has 1 hydrogen bond donor(s) and 3 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-Methyl-4-hydroxyethyl-1,3-dioxane?
The CAS number of 4-Methyl-4-hydroxyethyl-1,3-dioxane is 2018-45-3.
What is the molecular formula of 4-Methyl-4-hydroxyethyl-1,3-dioxane?
The molecular formula of 4-Methyl-4-hydroxyethyl-1,3-dioxane is C7H14O3.
What is the molecular weight of 4-Methyl-4-hydroxyethyl-1,3-dioxane?
The molecular weight of 4-Methyl-4-hydroxyethyl-1,3-dioxane is 146.09 g/mol.
Where can I buy 4-Methyl-4-hydroxyethyl-1,3-dioxane?
You can request a quote for 4-Methyl-4-hydroxyethyl-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-Methyl-4-hydroxyethyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 4-Methyl-4-hydroxyethyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.