Tetrahydroionol
TL;DR: Tetrahydroionol (CAS 4361-23-3) is a chemical compound with molecular formula C13H26O and molecular weight 198.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2,2,6-trimethylcyclohexyl)butan-2-ol
Also Known As: Tetrahydroionol, Tetrahydroional, 4-(2,2,6-trimethylcyclohexyl)butan-2-ol, Cyclohexanepropanol, alpha,2,2,6-tetramethyl-, Cyclohexanepropanol, .alpha.,2,2,6-tetramethyl-
| Molecular Formula | C13H26O |
|---|---|
| Molecular Weight | 198.20 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 198.19836 |
| Heavy Atoms | 14 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 4361-23-3 |
|---|---|
| SMILES | CC1CCCC(C1CCC(C)O)(C)C |
| InChIKey | UZWOWEPOVKVMEL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tetrahydroionol (CAS 4361-23-3), with molecular formula C13H26O and molecular weight 198.20 g/mol. IUPAC: 4-(2,2,6-trimethylcyclohexyl)butan-2-ol.
Chemical Property Profile of Tetrahydroionol
Property Insights of Tetrahydroionol
The XLogP value of 4.3 indicates that Tetrahydroionol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Tetrahydroionol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tetrahydroionol has 1 hydrogen bond donor(s) and 1 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 Tetrahydroionol?
The CAS number of Tetrahydroionol is 4361-23-3.
What is the molecular formula of Tetrahydroionol?
The molecular formula of Tetrahydroionol is C13H26O.
What is the molecular weight of Tetrahydroionol?
The molecular weight of Tetrahydroionol is 198.20 g/mol.
Where can I buy Tetrahydroionol?
You can request a quote for Tetrahydroionol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tetrahydroionol?
Yes, KEHONG BIO provides custom synthesis services for Tetrahydroionol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.