5,7-Dimethylisatin - CAS 39603-24-2

Catalog:	BB024051
Product Name:	5,7-Dimethylisatin
CAS:	39603-24-2
Synonyms:	5,7-dimethyl-1H-indole-2,3-dione; 5,7-dimethyl-1H-indole-2,3-dione

Technical Data

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Computed Properties

IUPAC Name:	5,7-dimethyl-1H-indole-2,3-dione
Description:	5,7-Dimethylisatin (CAS# 39603-24-2) is a useful research chemical.
Molecular Weight:	175.18
Molecular Formula:	C10H9NO2
Canonical SMILES:	CC1=CC(=C2C(=C1)C(=O)C(=O)N2)C
InChI:	InChI=1S/C10H9NO2/c1-5-3-6(2)8-7(4-5)9(12)10(13)11-8/h3-4H,1-2H3,(H,11,12,13)
InChI Key:	HFZSCCJTJGWTDZ-UHFFFAOYSA-N
Density:	1.25 g/cm³
MDL:	MFCD00047219
LogP:	1.57620

Publication Number	Title	Priority Date
CN-111777619-A	2-oxo spiro [ indoline-3, 4' -pyran ] ketone compound and synthesis method and application thereof	20200814
CN-110964018-A	Indole derivative and application thereof	20191203
US-10562906-B2	TYK2 inhibitors and uses thereof	20170728
US-10562907-B2	TYK2 inhibitors and uses thereof	20170728
US-10570145-B2	TYK2 inhibitors and uses thereof	20170728

PMID	Publication Date	Title	Journal
17378546	20070419	Selective inhibition of carboxylesterases by isatins, indole-2,3-diones	Journal of medicinal chemistry
14505663	20031020	Synthesis and evaluation of isatins and thiosemicarbazone derivatives against cruzain, falcipain-2 and rhodesain	Bioorganic & medicinal chemistry letters

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Complexity:	262
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	175.06332853
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	175.06332853
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4