3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-4-((4-methyl-1-piperazinyl)methyl)-, ethyl ester

ethyl 6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate

CAS: 70301-78-9

Molecular Formula	`C18H23BrN2O4`
Molecular Weight	411.3 g/mol
LogP	2.9
Topological Polar Surface Area	66.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	5
Exact Mass	410.0841
Heavy Atoms	25
Complexity	472.0

Chemical Identifiers

CAS Number	70301-78-9
SMILES	`CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN3CCN(CC3)C)O)Br)C`
InChIKey	`FIGLTETXRNSLKM-UHFFFAOYSA-N`

📖 Product Overview

3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-4-((4-methyl-1-piperazinyl)methyl)-, ethyl ester (CAS: 70301-78-9) is a chemical compound with molecular formula C18H23BrN2O4 and molecular weight 411.3 g/mol. Its IUPAC systematic name is ethyl 6-bromo-5-hydroxy-2-methyl-4-[(4-methylpiperazin-1-yl)methyl]-1-benzofuran-3-carboxylate. LogP 2.9 Topological Polar Surface Area 66.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 5 Exact Mass 410.0841 Heavy Atoms 25 Complexity 472.0 InChI Key: FIGLTETXRNSLKM-UHFFFAOYSA-N. SMILES: CCOC(=O)C1=C(OC2=CC(=C(C(=C21)CN3CCN(CC3)C)O)Br)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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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for 3-Benzofurancarboxylic acid, 6-bromo-5-hydroxy-2-methyl-4-((4-methyl-1-piperazinyl)methyl)-, ethyl ester.

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