Products for Research Use Only
RegisterLogin

CAY10514

CAT: 0931-T37828-02Size: 5 mgDry Ice: NoHazardous: No
Product image 1
1 / 1
CAT#:0931-T37828-02Size:5 mg
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
Quick Request Actions
CAS Number
868526-38-9
Target
Others, PPAR
Related Pathways
Others, DNA Damage/DNA Repair, Metabolism
Bioactivity
CAY10514 is an aromatic analog of 8 (S) -HETE. It acts as a dual agonist of PPARα and PPARγ with EC50 values of 0.173 and 0.642 μM, respectively.
Smiles
O(CCCCC)C1=C(C(CC#CCCCC(OC)=O)O)C=CC=C1
Molecular Formula
C20H28O4
Molecular Weight
332.43
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

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
Loading 3D structure...
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

Related Products

CatalogName
T38366-01CAY10614
T7280-01CAY10594
T35988CAY10564
T35986-01CAY10512
T37829-01CAY10573
T26957-01CAY10575
T37462-01CAY10654
T36550-01CAY10535
T26958-01CAY10583
T37464-01CAY10711

Alternative Products

CatalogName
MBS5802623CAY10514

Popular Products