methyl 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-6-methyl-3-propan-2-ylbenzoate

CAS: 53335-20-9

Molecular Formula	`C21H34N2O5`
Molecular Weight	394.5 g/mol
LogP	1.8
Topological Polar Surface Area	82.5 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	7
Rotatable Bonds	10
Exact Mass	394.24677
Heavy Atoms	28
Complexity	468.0

Chemical Identifiers

CAS Number	53335-20-9
SMILES	`CC1=C(C(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)CCO)O)C(=O)OC`
InChIKey	`ACFSLNOJYWCHEO-UHFFFAOYSA-N`

📖 Product Overview

methyl 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-6-methyl-3-propan-2-ylbenzoate (CAS: 53335-20-9) is a chemical compound with molecular formula C21H34N2O5 and molecular weight 394.5 g/mol. Its IUPAC systematic name is methyl 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-6-methyl-3-propan-2-ylbenzoate. LogP 1.8 Topological Polar Surface Area 82.5 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 7 Rotatable Bonds 10 Exact Mass 394.24677 Heavy Atoms 28 Complexity 468.0 InChI Key: ACFSLNOJYWCHEO-UHFFFAOYSA-N. SMILES: CC1=C(C(=C(C=C1)C(C)C)OCC(CN2CCN(CC2)CCO)O)C(=O)OC.

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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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📚 Academic Support

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Multi-source research profile: chemical properties, regulatory status, and sourcing guide for methyl 2-[2-hydroxy-3-[4-(2-hydroxyethyl)piperazin-1-yl]propoxy]-6-methyl-3-propan-2-ylbenzoate.

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