BRN 4621074

1-[2,4-bis[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone

CAS: 87049-22-7

Molecular Formula	`C34H44N4O5`
Molecular Weight	588.7 g/mol
LogP	3.6
Topological Polar Surface Area	89.0 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	9
Rotatable Bonds	13
Exact Mass	588.3312
Heavy Atoms	43
Complexity	807.0

Chemical Identifiers

CAS Number	87049-22-7
SMILES	`CC(=O)C1=C(C=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)OCC(CN4CCN(CC4)C5=CC=CC=C5)O`
InChIKey	`DSGYTJCWROQQCG-UHFFFAOYSA-N`

📖 Product Overview

BRN 4621074 (CAS: 87049-22-7) is a chemical compound with molecular formula C34H44N4O5 and molecular weight 588.7 g/mol. Its IUPAC systematic name is 1-[2,4-bis[2-hydroxy-3-(4-phenylpiperazin-1-yl)propoxy]phenyl]ethanone. LogP 3.6 Topological Polar Surface Area 89.0 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 9 Rotatable Bonds 13 Exact Mass 588.3312 Heavy Atoms 43 Complexity 807.0 InChI Key: DSGYTJCWROQQCG-UHFFFAOYSA-N. SMILES: CC(=O)C1=C(C=C(C=C1)OCC(CN2CCN(CC2)C3=CC=CC=C3)O)OCC(CN4CCN(CC4)C5=CC=CC=C5)O.

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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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What documentation do you provide with the product?

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

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