1,3-Dioxane, 4-hexyl-
TL;DR: 1,3-Dioxane, 4-hexyl- (CAS 2244-85-1) is a chemical compound with molecular formula C10H20O2 and molecular weight 172.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-hexyl-1,3-dioxane
Also Known As: 4-Hexyl-1,3-dioxane, 1,3-Dioxane, 4-hexyl-, 4-Hexyl-<1,3>dioxan, 218-830-9, EINECS 218-830-9
| Molecular Formula | C10H20O2 |
|---|---|
| Molecular Weight | 172.15 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 172.14633 |
| Heavy Atoms | 12 |
| Complexity | 104.0 |
Chemical Identifiers
| CAS Number | 2244-85-1 |
|---|---|
| SMILES | CCCCCCC1CCOCO1 |
| InChIKey | MNIXGQSLDFHHHN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Dioxane, 4-hexyl- (CAS 2244-85-1), with molecular formula C10H20O2 and molecular weight 172.15 g/mol. IUPAC: 4-hexyl-1,3-dioxane.
Chemical Property Profile of 1,3-Dioxane, 4-hexyl-
Property Insights of 1,3-Dioxane, 4-hexyl-
The XLogP value of 3.1 indicates that 1,3-Dioxane, 4-hexyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 1,3-Dioxane, 4-hexyl- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3-Dioxane, 4-hexyl- has 0 hydrogen bond donor(s) and 2 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 1,3-Dioxane, 4-hexyl-?
The CAS number of 1,3-Dioxane, 4-hexyl- is 2244-85-1.
What is the molecular formula of 1,3-Dioxane, 4-hexyl-?
The molecular formula of 1,3-Dioxane, 4-hexyl- is C10H20O2.
What is the molecular weight of 1,3-Dioxane, 4-hexyl-?
The molecular weight of 1,3-Dioxane, 4-hexyl- is 172.15 g/mol.
Where can I buy 1,3-Dioxane, 4-hexyl-?
You can request a quote for 1,3-Dioxane, 4-hexyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxane, 4-hexyl-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxane, 4-hexyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.