2-Isopropyl-5-hydroxymethyl-1,3-dioxane
TL;DR: 2-Isopropyl-5-hydroxymethyl-1,3-dioxane (CAS 35113-53-2) is a chemical compound with molecular formula C8H16O3 and molecular weight 160.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-yl-1,3-dioxan-5-yl)methanol
Also Known As: 2-isopropyl-5-hydroxymethyl-1,3-dioxane, (2-propan-2-yl-1,3-dioxan-5-yl)methanol, (2-Isopropyl-1,3-dioxan-5-yl)methanol, 2-isopropyl-5-hydroxymethyl-1,3-dioxan, NCI60_028487
| Molecular Formula | C8H16O3 |
|---|---|
| Molecular Weight | 160.11 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 38.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 160.10994 |
| Heavy Atoms | 11 |
| Complexity | 106.0 |
Chemical Identifiers
| CAS Number | 35113-53-2 |
|---|---|
| SMILES | CC(C)C1OCC(CO1)CO |
| InChIKey | ZZETUFLYPMIVJC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Isopropyl-5-hydroxymethyl-1,3-dioxane (CAS 35113-53-2), with molecular formula C8H16O3 and molecular weight 160.11 g/mol. IUPAC: (2-propan-2-yl-1,3-dioxan-5-yl)methanol.
Chemical Property Profile of 2-Isopropyl-5-hydroxymethyl-1,3-dioxane
Property Insights of 2-Isopropyl-5-hydroxymethyl-1,3-dioxane
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Isopropyl-5-hydroxymethyl-1,3-dioxane. With a topological polar surface area (TPSA) of 38.7 Ų, 2-Isopropyl-5-hydroxymethyl-1,3-dioxane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Isopropyl-5-hydroxymethyl-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 2-Isopropyl-5-hydroxymethyl-1,3-dioxane?
The CAS number of 2-Isopropyl-5-hydroxymethyl-1,3-dioxane is 35113-53-2.
What is the molecular formula of 2-Isopropyl-5-hydroxymethyl-1,3-dioxane?
The molecular formula of 2-Isopropyl-5-hydroxymethyl-1,3-dioxane is C8H16O3.
What is the molecular weight of 2-Isopropyl-5-hydroxymethyl-1,3-dioxane?
The molecular weight of 2-Isopropyl-5-hydroxymethyl-1,3-dioxane is 160.11 g/mol.
Where can I buy 2-Isopropyl-5-hydroxymethyl-1,3-dioxane?
You can request a quote for 2-Isopropyl-5-hydroxymethyl-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 2-Isopropyl-5-hydroxymethyl-1,3-dioxane?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-hydroxymethyl-1,3-dioxane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.