Hexanal octane-1,3-diol acetal
TL;DR: Hexanal octane-1,3-diol acetal (CAS 202188-46-3) is a chemical compound with molecular formula C14H28O2 and molecular weight 228.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,4-dipentyl-1,3-dioxane
Also Known As: 2,4-dipentyl-1,3-dioxane, Hexanal octane-1,3-diol acetal, FEMA No. 4377, Aldehyde C-6 octane-1,3-diol acetal, (+/-)-Hexanal octane-1,3-diol acetal
| Molecular Formula | C14H28O2 |
|---|---|
| Molecular Weight | 228.21 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 8 |
| Exact Mass | 228.20892 |
| Heavy Atoms | 16 |
| Complexity | 159.0 |
Chemical Identifiers
| CAS Number | 202188-46-3 |
|---|---|
| SMILES | CCCCCC1CCOC(O1)CCCCC |
| InChIKey | JTGGXBHDIVDFHP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexanal octane-1,3-diol acetal (CAS 202188-46-3), with molecular formula C14H28O2 and molecular weight 228.21 g/mol. IUPAC: 2,4-dipentyl-1,3-dioxane.
Chemical Property Profile of Hexanal octane-1,3-diol acetal
Property Insights of Hexanal octane-1,3-diol acetal
The XLogP value of 5.0 indicates that Hexanal octane-1,3-diol acetal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, Hexanal octane-1,3-diol acetal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexanal octane-1,3-diol acetal 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 Hexanal octane-1,3-diol acetal?
The CAS number of Hexanal octane-1,3-diol acetal is 202188-46-3.
What is the molecular formula of Hexanal octane-1,3-diol acetal?
The molecular formula of Hexanal octane-1,3-diol acetal is C14H28O2.
What is the molecular weight of Hexanal octane-1,3-diol acetal?
The molecular weight of Hexanal octane-1,3-diol acetal is 228.21 g/mol.
Where can I buy Hexanal octane-1,3-diol acetal?
You can request a quote for Hexanal octane-1,3-diol acetal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexanal octane-1,3-diol acetal?
Yes, KEHONG BIO provides custom synthesis services for Hexanal octane-1,3-diol acetal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.