ethyl 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-cyano-3-oxobutanoate

CAS: 57846-37-4

Molecular Formula	`C24H21ClN2O5`
Molecular Weight	452.9 g/mol
LogP	4.8
Topological Polar Surface Area	98.4 A2
Hydrogen Bond Donors	0
Hydrogen Bond Acceptors	6
Rotatable Bonds	8
Exact Mass	452.1139
Heavy Atoms	32
Complexity	757.0

Chemical Identifiers

CAS Number	57846-37-4
SMILES	`CCOC(=O)C(C#N)C(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C`
InChIKey	`ZPYNKCHFZOOQFZ-UHFFFAOYSA-N`

📖 Product Overview

ethyl 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-cyano-3-oxobutanoate (CAS: 57846-37-4) is a chemical compound with molecular formula C24H21ClN2O5 and molecular weight 452.9 g/mol. Its IUPAC systematic name is ethyl 4-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]-2-cyano-3-oxobutanoate. LogP 4.8 Topological Polar Surface Area 98.4 A2 Hydrogen Bond Donors 0 Hydrogen Bond Acceptors 6 Rotatable Bonds 8 Exact Mass 452.1139 Heavy Atoms 32 Complexity 757.0 InChI Key: ZPYNKCHFZOOQFZ-UHFFFAOYSA-N. SMILES: CCOC(=O)C(C#N)C(=O)CC1=C(N(C2=C1C=C(C=C2)OC)C(=O)C3=CC=C(C=C3)Cl)C.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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