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CAY10514

CAT: 0013-GTR19190428-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19190428-01Size:1 mg
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Description
CAY10514 is a synthetic aromatic derivative of the eicosanoid 8 (S) -HETE, functioning as a dual PPARα and PPARγ agonist with EC50 values of 0.173 μM and 0.642 μM, respectively. It is utilized in metabolic and inflammatory disease research, including studies on insulin sensitivity and lipid metabolism in cellular and animal models.
CAS Number
868526-38-9
Field of Research
Metabolism Research, Molecular Biology
Smiles
O (CCCCC) C1=C (C (CC#CCCCC (OC) =O) O) C=CC=C1
Molecular Formula
C20H28O4
Molecular Weight
332.43
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

Methyl 8-hydroxy-8-(2-(pentyloxy)phenyl)oct-5-ynoate
CAS Number868526-38-9
PubChem CID11992126
IUPAC Namemethyl 8-hydroxy-8-(2-pentoxyphenyl)oct-5-ynoate
Molecular FormulaC20H28O4
Molecular Weight332.4
XLogP4
Topological Polar Surface Area55.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Heavy Atom Count24
Formal Charge0
Complexity406
SMILES
CCCCCOC1=CC=CC=C1C(CC#CCCCC(=O)OC)O
InChI
InChI=1S/C20H28O4/c1-3-4-11-16-24-19-14-10-9-12-17(19)18(21)13-7-5-6-8-15-20(22)23-2/h9-10,12,14,18,21H,3-4,6,8,11,13,15-16H2,1-2H3
InChIKey
ZQRYAWVNSTVEIJ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Methyl 8-hydroxy-8-(2-(pentyloxy)phenyl)oct-5-ynoate
CAS: 868526-38-9
CID: 11992126
Formula: C20H28O4
MW: 332.4
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight332.4
XLogP34
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count11
Exact Mass332.19875937
Monoisotopic Mass332.19875937
Topological Polar Surface Area55.8 Ų
Heavy Atom Count24
Formal Charge0
Complexity406
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count1
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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