3-Methyl-2-oxindole - CAS 1504-06-9

Catalog:	BB010534
Product Name:	3-Methyl-2-oxindole
CAS:	1504-06-9
Synonyms:	3-methyl-1,3-dihydroindol-2-one

Technical Data

Patents

Literatures

Computed Properties

IUPAC Name:	3-methyl-1,3-dihydroindol-2-one
Description:	3-Methyl-2-oxindole (CAS# 1504-06-9) is a useful research chemical.
Molecular Weight:	147.17
Molecular Formula:	C9H9NO
Canonical SMILES:	CC1C2=CC=CC=C2NC1=O
InChI:	InChI=1S/C9H9NO/c1-6-7-4-2-3-5-8(7)10-9(6)11/h2-6H,1H3,(H,10,11)
InChI Key:	BBZCPUCZKLTAJQ-UHFFFAOYSA-N
Boiling Point:	279.3 °C at 760 mmHg
Melting Point:	117-121 °C (lit.)
Purity:	95 %
Density:	1.123 g/cm³
Appearance:	Solid
MDL:	MFCD04037370
LogP:	1.88020

Publication Number	Title	Priority Date
CN-113214134-A	Synthesis method of quaternary carbon oxoindole skeleton	20210430
WO-2021151943-A1	Analyte detection system	20200128
WO-2021127333-A1	Trpml modulators	20191219
WO-2021000935-A1	Hpk1 inhibitors and uses thereof	20190704
WO-2020211798-A1	Inhibitor containing bicyclic ring derivative, and preparation method and uses therefor	20190416

PMID	Publication Date	Title	Journal
30599194	20190315	End-product inhibition of skatole-metabolising enzymes CYP1A, CYP2A19 and CYP2E1 in porcine and piscine hepatic microsomes	Toxicology letters
22558931	20120501	The roles of different porcine cytochrome P450 enzymes and cytochrome b5A in skatole metabolism	Animal : an international journal of animal bioscience
22228748	20120401	Respective roles of CYP2A5 and CYP2F2 in the bioactivation of 3-methylindole in mouse olfactory mucosa and lung: studies using Cyp2a5-null and Cyp2f2-null mouse models	Drug metabolism and disposition: the biological fate of chemicals
19608696	20091001	The pneumotoxin 3-methylindole is a substrate and a mechanism-based inactivator of CYP2A13, a human cytochrome P450 enzyme preferentially expressed in the respiratory tract	Drug metabolism and disposition: the biological fate of chemicals
20027142	20090101	Porcine CYP2A19, CYP2E1 and CYP1A2 forms are responsible for skatole biotransformation in the reconstituted system	Neuro endocrinology letters

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Complexity:	178
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	147.068413911
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	147.068413911
Rotatable Bond Count:	0
Topological Polar Surface Area:	29.1
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.3