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Palmitoylcholine structure
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Palmitoylcholine

TL;DR: Palmitoylcholine (CAS 13100-90-8) is a chemical compound with molecular formula C21H44NO2+ and molecular weight 342.33722 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-hexadecanoyloxyethyl(trimethyl)azanium

Also Known As: Palmitoylcholine, Ichthycrinotoxin, O-Palmitoylcholine, Palmitylcholin, choline palmitate

CAS Number
13100-90-8
Molecular Formula
C21H44NO2+
Molecular Weight
342.33722 g/mol
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Application Areas

Top 5 of 7 IPC patent classification(s) from the SureChEMBL global patent database.

Agrochemicals (1 patents) Analytical Reagents (7 patents) Biotechnology (16 patents) Heterocyclic Building Blocks (2 patents) Peptides & Amino Acids (16 patents)

Technical Specifications

Molecular FormulaC21H44NO2+
Molecular Weight342.33722 g/mol
XLogP7.5
Topological Polar Surface Area (TPSA)26.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors2
Rotatable Bonds18
Exact Mass342.33722 Da
Heavy Atoms24
Complexity284.0
SMILESCCCCCCCCCCCCCCCC(=O)OCC[N+](C)(C)C
InChIKeyODYPFMHOOQOHEF-UHFFFAOYSA-N

Chemical Property Profile of Palmitoylcholine

XLogP
7.5
TPSA (Topological Polar Surface Area)
26.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
18
Heavy Atoms
24
Complexity
284.0
Exact Mass
342.33722
Monoisotopic Mass
342.33722
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of Palmitoylcholine

The XLogP value of 7.5 indicates that Palmitoylcholine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Palmitoylcholine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Palmitoylcholine has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of Palmitoylcholine?

The CAS number of Palmitoylcholine is 13100-90-8.

What is the molecular formula of Palmitoylcholine?

The molecular formula of Palmitoylcholine is C21H44NO2+.

What is the molecular weight of Palmitoylcholine?

The molecular weight of Palmitoylcholine is 342.33722 g/mol.

Where can I buy Palmitoylcholine?

You can request a quote for Palmitoylcholine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Palmitoylcholine?

Yes, CoreyChem provides custom synthesis services for Palmitoylcholine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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