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KB-141

CAT: 0013-GTR19197377-01Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19197377-01Size:25 mg
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Description
KB-141 is a synthetic small molecule agonist of the thyroid hormone receptor beta (TRβ) . It is utilized in research to study metabolic regulation and has demonstrated effects in both in vitro assays and in vivo models of obesity and dyslipidemia.
CAS Number
219691-94-8
Field of Research
Metabolism Research
Smiles
O (C1=C (Cl) C=C (CC (O) =O) C=C1Cl) C2=CC (C (C) C) =C (O) C=C2
Molecular Formula
C17H16Cl2O4
Molecular Weight
355.21
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

KB-141

An anticholesteremic agent.

CAS Number219691-94-8
PubChem CID9863447
IUPAC Name2-[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]acetic acid
Molecular FormulaC17H16Cl2O4
Molecular Weight355.2
XLogP4.9
Topological Polar Surface Area66.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Heavy Atom Count23
Formal Charge0
Complexity392
SMILES
CC(C)C1=C(C=CC(=C1)OC2=C(C=C(C=C2Cl)CC(=O)O)Cl)O
InChI
InChI=1S/C17H16Cl2O4/c1-9(2)12-8-11(3-4-15(12)20)23-17-13(18)5-10(6-14(17)19)7-16(21)22/h3-6,8-9,20H,7H2,1-2H3,(H,21,22)
InChIKey
OZYQIQVPUZANTM-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of KB-141
CAS: 219691-94-8
CID: 9863447
Formula: C17H16Cl2O4
MW: 355.2
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.2
XLogP34.9
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count5
Exact Mass354.0425644
Monoisotopic Mass354.0425644
Topological Polar Surface Area66.8 Ų
Heavy Atom Count23
Formal Charge0
Complexity392
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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