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2-(2,6-Dioxo-3-piperidinyl)-4-hydroxyisoindoline-1,3-dione

2-(2,6-Dioxo-3-piperidinyl)-4-hydroxyisoindoline-1,3-dione - CAS 5054-59-1

Catalog:	BB027105
Product Name:	2-(2,6-Dioxo-3-piperidinyl)-4-hydroxyisoindoline-1,3-dione
CAS:	5054-59-1
Synonyms:	4-Hydroxy thalidomide; E3 ligase Ligand 2; Thalidomide-4-OH; 4-Hydroxy thalidomide, (+/-)-; 3-Hydroxythalidomide; 4-Hydroxy-thalidomide; α-(3-Hydroxy-phthalimido)-glutarimid; 2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindoline-1,3-dione; 2-(2,6-dioxo-3-piperidinyl)-4-hydroxy-1H-isoindole-1,3(2H)-dione

2-(2,6-Dioxo-3-piperidinyl)-4-hydroxyisoindoline-1,3-dione

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Computed Properties

IUPAC Name:	2-(2,6-dioxopiperidin-3-yl)-4-hydroxyisoindole-1,3-dione
Description:	Thalidomide-OH is a ligand for E3 ligase used in PROTAC technology.
Molecular Weight:	274.23
Molecular Formula:	C13H10N2O5
Canonical SMILES:	C1CC(=O)NC(=O)C1N2C(=O)C3=C(C2=O)C(=CC=C3)O
InChI:	InChI=1S/C13H10N2O5/c16-8-3-1-2-6-10(8)13(20)15(12(6)19)7-4-5-9(17)14-11(7)18/h1-3,7,16H,4-5H2,(H,14,17,18)
InChI Key:	XMPJICVFSDYOEG-UHFFFAOYSA-N
Boiling Point:	568.3±45.0 ℃ (Predicted)
Melting Point:	273-282 ℃
Purity:	> 95 %
Density:	1.611±0.06 g/cm³ (Predicted)
Solubility:	DMSO : ≥ 36.5 mg/mL
Appearance:	White to off-white solid
Storage:	4 ℃, stored under nitrogen *In solvent : -80 ℃, 6 months; -20 ℃, 1 month (stored under nitrogen)
LogP:	0.06010

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