2-(4-Hydroxybutyl)isoindoline-1,3-dione - CAS 24697-70-9

Catalog:	BB018585
Product Name:	2-(4-Hydroxybutyl)isoindoline-1,3-dione
CAS:	24697-70-9
Synonyms:	2-(4-hydroxybutyl)isoindole-1,3-dione; 2-(4-hydroxybutyl)isoindole-1,3-dione

Technical Data

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Computed Properties

IUPAC Name:	2-(4-hydroxybutyl)isoindole-1,3-dione
Description:	2-(4-Hydroxybutyl)isoindoline-1,3-dione (CAS# 24697-70-9) is a useful research chemical.
Molecular Weight:	219.24
Molecular Formula:	C12H13NO3
Canonical SMILES:	C1=CC=C2C(=C1)C(=O)N(C2=O)CCCCO
InChI:	InChI=1S/C12H13NO3/c14-8-4-3-7-13-11(15)9-5-1-2-6-10(9)12(13)16/h1-2,5-6,14H,3-4,7-8H2
InChI Key:	FWNCNQDIENYPDJ-UHFFFAOYSA-N
LogP:	0.99300

Publication Number	Title	Priority Date
WO-2020169085-A1	A theranostic probe and its use for targeting and/or labeling the egfr kinase and/or the cells expressing egfr or its family members	20190221
CN-110950890-A	Substituted imidazo [4,5-c ] quinoline macrocycles as multi-target kinase inhibitors	20180927
WO-2019238067-A1	Pyrrolo [2, 3-b] pyridines or pyrrolo [2, 3-b] pyrazines as hpk1 inhibitor and the use thereof	20180613
TW-202016109-A	Pyrrolo[2,3-B]pyridine or pyrrolo[2,3-B]pyrazine as an HPK1 inhibitor and uses thereof	20180613
CN-112243439-A	Pyrrolo [2,3-B ] pyridines or pyrrolo [2,3-B ] pyrazines as HPK1 inhibitors and uses thereof	20180613

PMID	Publication Date	Title	Journal
17010479	20070101	Design, synthesis, biochemical evaluation and antimycobacterial action of phosphonate inhibitors of antigen 85C, a crucial enzyme involved in biosynthesis of the mycobacterial cell wall	European journal of medicinal chemistry

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Complexity:	266
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	219.08954328
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	219.08954328
Rotatable Bond Count:	4
Topological Polar Surface Area:	57.6
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5