Tridihexethyl
TL;DR: Tridihexethyl (CAS 60-49-1) is a chemical compound with molecular formula C21H36NO+ and molecular weight 318.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium
Also Known As: Tridihexethyl, Propethonum, Pathilon, Tridihexethyl ion, Tridihexethyl cation
| Molecular Formula | C21H36NO+ |
|---|---|
| Molecular Weight | 318.28 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 20.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 8 |
| Exact Mass | 318.2797 |
| Heavy Atoms | 23 |
| Complexity | 318.0 |
| Melting Point | 181.5 |
| Solubility | 11 |
Chemical Identifiers
| CAS Number | 60-49-1 |
|---|---|
| SMILES | CC[N+](CC)(CC)CCC(C1CCCCC1)(C2=CC=CC=C2)O |
| InChIKey | NPRHVSBSZMAEIN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Tridihexethyl (CAS 60-49-1), with molecular formula C21H36NO+ and molecular weight 318.28 g/mol. IUPAC: (3-cyclohexyl-3-hydroxy-3-phenylpropyl)-triethylazanium.
Chemical Property Profile of Tridihexethyl
Property Insights of Tridihexethyl
The XLogP value of 4.8 indicates that Tridihexethyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.2 Ų, Tridihexethyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Tridihexethyl 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 Tridihexethyl?
The CAS number of Tridihexethyl is 60-49-1.
What is the molecular formula of Tridihexethyl?
The molecular formula of Tridihexethyl is C21H36NO+.
What is the molecular weight of Tridihexethyl?
The molecular weight of Tridihexethyl is 318.28 g/mol.
Where can I buy Tridihexethyl?
You can request a quote for Tridihexethyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tridihexethyl?
Yes, KEHONG BIO provides custom synthesis services for Tridihexethyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.