Fenclexonium Metilsulfate
TL;DR: Fenclexonium Metilsulfate (CAS 30817-43-7) is a chemical compound with molecular formula C22H35NO4S and molecular weight 409.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-(cyclohexen-1-yl)-3-phenylpropyl]-1-methylpiperidin-1-ium;methyl sulfate
Also Known As: Fenclexonium metilsulfate, Fenclexonii metilsulfas, Metilsulfato de fenclexonio, Fenclexonium methylsulfate, Fenclexonium metilsulphate
| Molecular Formula | C22H35NO4S |
|---|---|
| Molecular Weight | 409.23 g/mol |
| LogP | 4.38 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.22867 |
| Heavy Atoms | 28 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 30817-43-7 |
|---|---|
| SMILES | C[N+]1(CCCCC1)CCC(C2=CCCCC2)C3=CC=CC=C3.COS(=O)(=O)[O-] |
| InChIKey | DPQPWAGLQYSJRP-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fenclexonium Metilsulfate (CAS 30817-43-7), with molecular formula C22H35NO4S and molecular weight 409.23 g/mol. IUPAC: 1-[3-(cyclohexen-1-yl)-3-phenylpropyl]-1-methylpiperidin-1-ium;methyl sulfate.
Chemical Property Profile of Fenclexonium Metilsulfate
Property Insights of Fenclexonium Metilsulfate
The XLogP value of 4.38 indicates that Fenclexonium Metilsulfate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Fenclexonium Metilsulfate. Following Lipinski's Rule of Five, Fenclexonium Metilsulfate has 0 hydrogen bond donor(s) and 4 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 Fenclexonium Metilsulfate?
The CAS number of Fenclexonium Metilsulfate is 30817-43-7.
What is the molecular formula of Fenclexonium Metilsulfate?
The molecular formula of Fenclexonium Metilsulfate is C22H35NO4S.
What is the molecular weight of Fenclexonium Metilsulfate?
The molecular weight of Fenclexonium Metilsulfate is 409.23 g/mol.
Where can I buy Fenclexonium Metilsulfate?
You can request a quote for Fenclexonium Metilsulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fenclexonium Metilsulfate?
Yes, KEHONG BIO provides custom synthesis services for Fenclexonium Metilsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.