BRN 3184512

N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide

CAS: 63620-47-3

Molecular Formula	`C27H27NO5S`
Molecular Weight	477.6 g/mol
LogP	3.4
Topological Polar Surface Area	99.2 A2
Hydrogen Bond Donors	1
Hydrogen Bond Acceptors	6
Rotatable Bonds	6
Exact Mass	477.16098
Heavy Atoms	34
Complexity	859.0

Chemical Identifiers

CAS Number	63620-47-3
SMILES	`COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=CC=C4)OC)OC`
InChIKey	`AHNUEGAJJOXHHL-FQEVSTJZSA-N`

📖 Product Overview

BRN 3184512 (CAS: 63620-47-3) is a chemical compound with molecular formula C27H27NO5S and molecular weight 477.6 g/mol. Its IUPAC systematic name is N-[(7S)-1,2,3-trimethoxy-10-methylsulfanyl-9-oxo-6,7-dihydro-5H-benzo[a]heptalen-7-yl]benzamide. LogP 3.4 Topological Polar Surface Area 99.2 A2 Hydrogen Bond Donors 1 Hydrogen Bond Acceptors 6 Rotatable Bonds 6 Exact Mass 477.16098 Heavy Atoms 34 Complexity 859.0 InChI Key: AHNUEGAJJOXHHL-FQEVSTJZSA-N. SMILES: COC1=C(C(=C2C(=C1)CCC(C3=CC(=O)C(=CC=C32)SC)NC(=O)C4=CC=CC=C4)OC)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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We provide COA (Certificate of Analysis), MSDS (Material Safety Data Sheet), and technical data sheets with each shipment.

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