Hexocyclium
TL;DR: Hexocyclium (CAS 6004-98-4) is a chemical compound with molecular formula C20H33N2O+ and molecular weight 317.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol
Also Known As: HEXOCYCLIUM, Hexocyclium ion, hexociclium, Hexocyclum, Hexocyclium cation
| Molecular Formula | C20H33N2O+ |
|---|---|
| Molecular Weight | 317.26 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 317.25928 |
| Heavy Atoms | 23 |
| Complexity | 362.0 |
| Melting Point | 203-204 |
Chemical Identifiers
| CAS Number | 6004-98-4 |
|---|---|
| SMILES | C[N+]1(CCN(CC1)CC(C2CCCCC2)(C3=CC=CC=C3)O)C |
| InChIKey | ZRYHPQCHHOKSMD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Hexocyclium (CAS 6004-98-4), with molecular formula C20H33N2O+ and molecular weight 317.26 g/mol. IUPAC: 1-cyclohexyl-2-(4,4-dimethylpiperazin-4-ium-1-yl)-1-phenylethanol.
Chemical Property Profile of Hexocyclium
Property Insights of Hexocyclium
The XLogP value of 3.1 indicates that Hexocyclium is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Hexocyclium exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexocyclium has 1 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 Hexocyclium?
The CAS number of Hexocyclium is 6004-98-4.
What is the molecular formula of Hexocyclium?
The molecular formula of Hexocyclium is C20H33N2O+.
What is the molecular weight of Hexocyclium?
The molecular weight of Hexocyclium is 317.26 g/mol.
Where can I buy Hexocyclium?
You can request a quote for Hexocyclium directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hexocyclium?
Yes, KEHONG BIO provides custom synthesis services for Hexocyclium and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.