5,6-Dichloroisatin - CAS 1677-48-1

Catalog:	BB012416
Product Name:	5,6-Dichloroisatin
CAS:	1677-48-1
Synonyms:	5,6-dichloro-1H-indole-2,3-dione; 5,6-dichloro-1H-indole-2,3-dione

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Computed Properties

IUPAC Name:	5,6-dichloro-1H-indole-2,3-dione
Description:	5,6-Dichloroisatin (CAS# 1677-48-1) is a useful research chemical.
Molecular Weight:	216.02
Molecular Formula:	C8H3Cl2NO2
Canonical SMILES:	C1=C2C(=CC(=C1Cl)Cl)NC(=O)C2=O
InChI:	InChI=1S/C8H3Cl2NO2/c9-4-1-3-6(2-5(4)10)11-8(13)7(3)12/h1-2H,(H,11,12,13)
InChI Key:	KIFKRDLEAQUAAW-UHFFFAOYSA-N
Density:	1.643 g/cm³
LogP:	2.26620

Publication Number	Title	Priority Date
KR-102247453-B1	composition for preventing or treating for preventing or treating diabetic wound comprising Indirubin derivative compound	20190703
KR-20210005355-A	composition for preventing or treating for preventing or treating diabetic wound comprising Indirubin derivative compound	20190703
WO-2020079569-A1	Compositions and methods for suppressing and/or treating metabolic diseases and/or a clinical condition thereof	20181015
WO-2020079570-A1	Compositions and methods for suppressing and/or treating a growth related disease and/or a clinical condition thereof	20181015
CN-113164446-A	Compositions and methods for inhibiting and/or treating metabolic disorders and/or clinical conditions thereof	20181015

PMID	Publication Date	Title	Journal
17378546	20070419	Selective inhibition of carboxylesterases by isatins, indole-2,3-diones	Journal of medicinal chemistry

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Complexity:	269
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.9540837
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.9540837
Rotatable Bond Count:	0
Topological Polar Surface Area:	46.2
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.1