Toloconium methylsulfate
TL;DR: Toloconium methylsulfate (CAS 552-92-1) is a chemical compound with molecular formula C23H43NO4S and molecular weight 429.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;trimethyl-[1-(4-methylphenyl)dodecyl]azanium
Also Known As: Toloconium metilsulfate, Toloconium methylsulfate, Toloconii metilsulfas, Metilsulfate de toloconium, Metilsulfato de toloconio
| Molecular Formula | C23H43NO4S |
|---|---|
| Molecular Weight | 429.29 g/mol |
| LogP | 5.76 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 12 |
| Exact Mass | 429.2913 |
| Heavy Atoms | 29 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 552-92-1 |
|---|---|
| SMILES | CCCCCCCCCCCC(C1=CC=C(C=C1)C)[N+](C)(C)C.COS(=O)(=O)[O-] |
| InChIKey | RCIULPORFWIVEE-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Toloconium methylsulfate (CAS 552-92-1), with molecular formula C23H43NO4S and molecular weight 429.29 g/mol. IUPAC: methyl sulfate;trimethyl-[1-(4-methylphenyl)dodecyl]azanium.
Chemical Property Profile of Toloconium methylsulfate
Property Insights of Toloconium methylsulfate
The XLogP value of 5.76 indicates that Toloconium methylsulfate 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 Toloconium methylsulfate. Following Lipinski's Rule of Five, Toloconium methylsulfate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Toloconium methylsulfate?
The CAS number of Toloconium methylsulfate is 552-92-1.
What is the molecular formula of Toloconium methylsulfate?
The molecular formula of Toloconium methylsulfate is C23H43NO4S.
What is the molecular weight of Toloconium methylsulfate?
The molecular weight of Toloconium methylsulfate is 429.29 g/mol.
Where can I buy Toloconium methylsulfate?
You can request a quote for Toloconium methylsulfate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Toloconium methylsulfate?
Yes, KEHONG BIO provides custom synthesis services for Toloconium methylsulfate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.