Ethyl 2,3-Dimethylindole-5-carboxylate - CAS 21523-62-6

Catalog:	BB016937
Product Name:	Ethyl 2,3-Dimethylindole-5-carboxylate
CAS:	21523-62-6
Synonyms:	2,3-dimethyl-1H-indole-5-carboxylic acid ethyl ester; ethyl 2,3-dimethyl-1H-indole-5-carboxylate

Technical Data

Patents

Computed Properties

IUPAC Name:	ethyl 2,3-dimethyl-1H-indole-5-carboxylate
Description:	Ethyl 2,3-Dimethylindole-5-carboxylate (CAS# 21523-62-6) is a useful research chemical.
Molecular Weight:	217.26
Molecular Formula:	C13H15NO2
Canonical SMILES:	CCOC(=O)C1=CC2=C(C=C1)NC(=C2C)C
InChI:	InChI=1S/C13H15NO2/c1-4-16-13(15)10-5-6-12-11(7-10)8(2)9(3)14-12/h5-7,14H,4H2,1-3H3
InChI Key:	VQDRHZVLRCGSFX-UHFFFAOYSA-N
MDL:	MFCD00458330
LogP:	2.96140

Publication Number	Title	Priority Date
WO-2021173593-A1	Indole compounds for the treatment of neurodegenerative diseases	20200224
US-10016394-B2	PPARG modulators for treatment of osteoporosis	20140416
US-2017035730-A1	Pparg modulators for treatment of osteoporosis	20140416
US-2018369196-A1	PPARG Modulators for the Treatment of Osteoporosis	20140416
WO-2015161108-A1	Pparg modulators for treatment of osteoporosis	20140416

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Related Functional Groups

Carbonyl Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[51493-02-8]
N-Methyl-N-propylcarbamoyl Chloride
[87-88-7]
Chloranilic acid
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[17746-05-3]
Undecanoyl chloride
[832741-29-4]
1-(4-Bromo-5-propylthiophen-2-yl)ethanone

Complexity:	267
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	217.110278721
Formal Charge:	0
Heavy Atom Count:	16
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	217.110278721
Rotatable Bond Count:	3
Topological Polar Surface Area:	42.1
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3