KB-141

CAT: 0931-T27714-01Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0931-T27714-01Size:25 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

219691-94-8

Target

Others, Thyroid hormone receptor (THR)

Related Pathways

Endocrinology/Hormones, Others

Bioactivity

KB-141 is an agonist of thyroid hormone receptor.

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

Shipping Conditions

Ice Packs

Storage Temperature

-20°C

Chemical Information

KB-141

An anticholesteremic agent.

CAS Number	219691-94-8
PubChem CID	9863447
IUPAC Name	2-[3,5-dichloro-4-(4-hydroxy-3-propan-2-ylphenoxy)phenyl]acetic acid
Molecular Formula	C17H16Cl2O4
Molecular Weight	355.2
XLogP	4.9
Topological Polar Surface Area	66.8
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Heavy Atom Count	23
Formal Charge	0
Complexity	392

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

CAS: 219691-94-8

CID: 9863447

Formula: C17H16Cl2O4

MW: 355.2

Interactive 3D Structure

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View on PubChem Raw 3D data

Computed Properties

Property	Value
Molecular Weight	355.2
XLogP3	4.9
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	5
Exact Mass	354.0425644
Monoisotopic Mass	354.0425644
Topological Polar Surface Area	66.8 Å²
Heavy Atom Count	23
Formal Charge	0
Complexity	392
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

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HY-117167	KB-141
VAC-00017-01	PT-141
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sc-362768	ML 141
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HY-P991369	EBU-141
P44180	PKA-141
GTR19249690-01	EGFR-IN-141
GTR19231495	SHP-141
530539	ML-141

KB-141

Chemical Information

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