Sebacinyldicholine
TL;DR: Sebacinyldicholine (CAS 28492-70-8) is a chemical compound with molecular formula C20H42Cl2N2O4 and molecular weight 444.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[2-[10-oxo-10-[2-(trimethylazaniumyl)ethoxy]decanoyl]oxyethyl]azanium dichloride
Also Known As: Sebacinyldicholine, Sebacycholine dichloride, Bis-choline ester of sebacic acid, Choline, chloride, sebacate (2:1), Ammonium, octamethylenebis(carbonyloxyethyl)bis(trimethyl-, dichloride
| Molecular Formula | C20H42Cl2N2O4 |
|---|---|
| Molecular Weight | 444.25 g/mol |
| LogP | -3.386 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 17 |
| Exact Mass | 444.25217 |
| Heavy Atoms | 28 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 28492-70-8 |
|---|---|
| SMILES | C[N+](C)(C)CCOC(=O)CCCCCCCCC(=O)OCC[N+](C)(C)C.[Cl-].[Cl-] |
| InChIKey | LVTFLGQROHDLBK-UHFFFAOYSA-L |
Product Overview
Sebacinyldicholine (CAS 28492-70-8), with molecular formula C20H42Cl2N2O4 and molecular weight 444.25 g/mol. IUPAC: trimethyl-[2-[10-oxo-10-[2-(trimethylazaniumyl)ethoxy]decanoyl]oxyethyl]azanium dichloride.
Chemical Property Profile of Sebacinyldicholine
Property Insights of Sebacinyldicholine
The XLogP value of -3.386 indicates that Sebacinyldicholine 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, Sebacinyldicholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Sebacinyldicholine has 0 hydrogen bond donor(s) and 6 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 Sebacinyldicholine?
The CAS number of Sebacinyldicholine is 28492-70-8.
What is the molecular formula of Sebacinyldicholine?
The molecular formula of Sebacinyldicholine is C20H42Cl2N2O4.
What is the molecular weight of Sebacinyldicholine?
The molecular weight of Sebacinyldicholine is 444.25 g/mol.
Where can I buy Sebacinyldicholine?
You can request a quote for Sebacinyldicholine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Sebacinyldicholine?
Yes, KEHONG BIO provides custom synthesis services for Sebacinyldicholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.