LG 100268

CAT: 0024-sc-211737Size: 5 mgDry Ice: NoHazardous: No

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CAT#:0024-sc-211737Size:5 mg

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CAS Number

153559-76-3

Chemical Information

6-(1-(5,6,7,8-Tetrahydro-3,5,5,8,8-pentamethyl-2-naphthalenyl)cyclopropyl)-3-pyridinecarboxylic acid

LG-100268 is a retinoid X receptor (RXR) selective compound.

CAS Number	153559-76-3
PubChem CID	3922
IUPAC Name	6-[1-(3,5,5,8,8-pentamethyl-6,7-dihydronaphthalen-2-yl)cyclopropyl]pyridine-3-carboxylic acid
Molecular Formula	C24H29NO2
Molecular Weight	363.5
XLogP	6.1
Topological Polar Surface Area	50.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Heavy Atom Count	27
Formal Charge	0
Complexity	591

SMILES

CC1=CC2=C(C=C1C3(CC3)C4=NC=C(C=C4)C(=O)O)C(CCC2(C)C)(C)C

InChI

InChI=1S/C24H29NO2/c1-15-12-18-19(23(4,5)9-8-22(18,2)3)13-17(15)24(10-11-24)20-7-6-16(14-25-20)21(26)27/h6-7,12-14H,8-11H2,1-5H3,(H,26,27)

InChIKey

SLXTWXQUEZSSTJ-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153559-76-3

CID: 3922

Formula: C24H29NO2

MW: 363.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	363.5
XLogP3	6.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	3
Exact Mass	363.219829168
Monoisotopic Mass	363.219829168
Topological Polar Surface Area	50.2 Å²
Heavy Atom Count	27
Formal Charge	0
Complexity	591
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