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K-111

CAT: 1410-M34302-02Size: 5 mgDry Ice: NoHazardous: No
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CAT#:1410-M34302-02Size:5 mg
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Description
K-111 (BM-170744) is an orally available peroxisome proliferator-activated receptor (PPAR) -alpha agonist and insulin enhancer for the study of obesity-type diabetes mellitus and the metabolic syndrome.
CAS Number
221564-97-2
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
379.75
Molecular Formula
C18H25Cl3O2
Notes
Research use only, not for human use.
Receptor
PPAR

Chemical Information

2,2-Dichloro-12-(p-chlorophenyl)-dodecanoic acid

antidiabetic compound with insulin-sensitizing and lipid-lowering activity; structure in first source

CAS Number221564-97-2
PubChem CID9929731
IUPAC Name2,2-dichloro-12-(4-chlorophenyl)dodecanoic acid
Molecular FormulaC18H25Cl3O2
Molecular Weight379.7
XLogP8
Topological Polar Surface Area37.3
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Heavy Atom Count23
Formal Charge0
Complexity326
SMILES
C1=CC(=CC=C1CCCCCCCCCCC(C(=O)O)(Cl)Cl)Cl
InChI
InChI=1S/C18H25Cl3O2/c19-16-12-10-15(11-13-16)9-7-5-3-1-2-4-6-8-14-18(20,21)17(22)23/h10-13H,1-9,14H2,(H,22,23)
InChIKey
GPCJDSXBRMKASP-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2,2-Dichloro-12-(p-chlorophenyl)-dodecanoic acid
CAS: 221564-97-2
CID: 9929731
Formula: C18H25Cl3O2
MW: 379.7
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight379.7
XLogP38
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count2
Rotatable Bond Count12
Exact Mass378.092013
Monoisotopic Mass378.092013
Topological Polar Surface Area37.3 Ų
Heavy Atom Count23
Formal Charge0
Complexity326
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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