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Octadecyl octadeca-9,12,15-trienoate structure
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Octadecyl octadeca-9,12,15-trienoate

TL;DR: Octadecyl octadeca-9,12,15-trienoate (CAS 17673-60-8) is a chemical compound with molecular formula C36H66O2 and molecular weight 530.5063 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

octadecyl octadeca-9,12,15-trienoate

Also Known As: Octadecyl (9Z,12Z,15Z)-9,12,15-octadecatrienoate, 9,12,15-Octadecatrienoicacid, octadecyl ester, (9Z,12Z,15Z)-

CAS Number
17673-60-8
Molecular Formula
C36H66O2
Molecular Weight
530.5063 g/mol
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Technical Specifications

Molecular FormulaC36H66O2
Molecular Weight530.5063 g/mol
XLogP15.1
Topological Polar Surface Area (TPSA)26.3 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors2
Rotatable Bonds31
Exact Mass530.5063 Da
Heavy Atoms38
Complexity546.0
SMILESCCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC=CCC=CCC
InChIKeyQQRQYDIHHZSQOG-UHFFFAOYSA-N

Chemical Property Profile of Octadecyl octadeca-9,12,15-trienoate

XLogP
15.1
TPSA (Topological Polar Surface Area)
26.3
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
2
Rotatable Bonds
31
Heavy Atoms
38
Complexity
546.0
Exact Mass
530.5063
Monoisotopic Mass
530.5063
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 Octadecyl octadeca-9,12,15-trienoate

The XLogP value of 15.1 indicates that Octadecyl octadeca-9,12,15-trienoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Octadecyl octadeca-9,12,15-trienoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Octadecyl octadeca-9,12,15-trienoate 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 Octadecyl octadeca-9,12,15-trienoate?

The CAS number of Octadecyl octadeca-9,12,15-trienoate is 17673-60-8.

What is the molecular formula of Octadecyl octadeca-9,12,15-trienoate?

The molecular formula of Octadecyl octadeca-9,12,15-trienoate is C36H66O2.

What is the molecular weight of Octadecyl octadeca-9,12,15-trienoate?

The molecular weight of Octadecyl octadeca-9,12,15-trienoate is 530.5063 g/mol.

Where can I buy Octadecyl octadeca-9,12,15-trienoate?

You can request a quote for Octadecyl octadeca-9,12,15-trienoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for Octadecyl octadeca-9,12,15-trienoate?

Yes, CoreyChem provides custom synthesis services for Octadecyl octadeca-9,12,15-trienoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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