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2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate structure
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2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate

TL;DR: 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate (CAS 84601-19-4) is a chemical compound with molecular formula C25H52NO5P and molecular weight 477.3583 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

2-octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate

Also Known As: OOPC, OLEYLOXYETHYL PHOSPHORYLCHOLINE, Oleyoxyethyl phosphorylcholine, 2-octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate, 2-(octadec-9-en-1-yloxy)ethyl 2-(trimethylammonio)ethyl phosphate

CAS Number
84601-19-4
Molecular Formula
C25H52NO5P
Molecular Weight
477.3583 g/mol
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Application Areas

Top 5 of 2 IPC patent classification(s) from the SureChEMBL global patent database.

Organometallic Reagents (10 patents) Pharmaceutical Intermediates (2 patents)

Technical Specifications

Molecular FormulaC25H52NO5P
Molecular Weight477.3583 g/mol
XLogP6.7
Topological Polar Surface Area (TPSA)67.8 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors5
Rotatable Bonds24
Exact Mass477.3583 Da
Heavy Atoms32
Complexity471.0
SMILESCCCCCCCCC=CCCCCCCCCOCCOP(=O)([O-])OCC[N+](C)(C)C
InChIKeyNPLMVGGTFDUQHL-UHFFFAOYSA-N

Product Description

Applications: 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate is used in organometallic chemistry, cross-coupling reactions, and metal-mediated transformations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).

2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate (CAS 84601-19-4) is a organometallic reagent with the molecular formula C25H52NO5P and a molecular weight of 477.36 g/mol. Synonyms include OOPC and OLEYLOXYETHYL PHOSPHORYLCHOLINE.

Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate

XLogP
6.7
TPSA (Topological Polar Surface Area)
67.8
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
5
Rotatable Bonds
24
Heavy Atoms
32
Complexity
471.0
Exact Mass
477.3583
Monoisotopic Mass
477.3583
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 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate

The XLogP value of 6.7 indicates that 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate. Following Lipinski's Rule of Five, 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate?

The CAS number of 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate is 84601-19-4.

What is the molecular formula of 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate?

The molecular formula of 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate is C25H52NO5P.

What is the molecular weight of 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate?

The molecular weight of 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate is 477.3583 g/mol.

What are the applications of 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate?

2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate is used in organometallic chemistry, cross-coupling reactions, and metal-mediated transformations, as well as pharmaceutical synthesis routes and API production. It commonly serves as a versatile building block for organic synthesis....

Where can I buy 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate?

You can request a quote for 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate?

Yes, CoreyChem provides custom synthesis services for 2-Octadec-9-enoxyethyl 2-(trimethylazaniumyl)ethyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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