Subecholine
TL;DR: Subecholine (CAS 4372-39-8) is a chemical compound with molecular formula C18H38I2N2O4 and molecular weight 600.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[8-oxo-8-[2-(trimethylazaniumyl)ethoxy]octanoyl]oxyethyl]azanium diiodide
Also Known As: subecholine, Corconium, Suberyldicholine, Suberyldicholine diiodide, suberyldi-choline diiodide
| Molecular Formula | C18H38I2N2O4 |
|---|---|
| Molecular Weight | 600.09 g/mol |
| LogP | -4.1662 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 15 |
| Exact Mass | 600.0921 |
| Heavy Atoms | 26 |
| Complexity | 334.0 |
Chemical Identifiers
| CAS Number | 4372-39-8 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)CCCCCCC(=O)OCC[N+](C)(C)C.[I-].[I-] |
| InChIKey | NLKOQMGXIGBXQR-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Subecholine (CAS 4372-39-8), with molecular formula C18H38I2N2O4 and molecular weight 600.09 g/mol. IUPAC: trimethyl-[2-[8-oxo-8-[2-(trimethylazaniumyl)ethoxy]octanoyl]oxyethyl]azanium diiodide.
Chemical Property Profile of Subecholine
Property Insights of Subecholine
The XLogP value of -4.1662 indicates that Subecholine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.6 Ų, Subecholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Subecholine has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Subecholine?
The CAS number of Subecholine is 4372-39-8.
What is the molecular formula of Subecholine?
The molecular formula of Subecholine is C18H38I2N2O4.
What is the molecular weight of Subecholine?
The molecular weight of Subecholine is 600.09 g/mol.
Where can I buy Subecholine?
You can request a quote for Subecholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Subecholine?
Yes, KEHONG BIO provides custom synthesis services for Subecholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.