AC1ML32K structure

AC1ML32K

methyl 3-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]benzoate

Also Known As: Oprea1_316607|Oprea1_584126|ASN 04448741|Methyl 3-{[2-(cyclohexylamino)-1-(1,3-dimethyl-1H-pyrazol-4-yl)-2-oxoethyl](2,3-dihydro-1,4-benzodioxin-2-ylcarbonyl)amino}benzoate|methyl 3-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]benzoate

CAS: 478482-98-3
Molecular Formula C30H34N4O6
Molecular Weight 546.24786 g/mol
LogP 3.87832
Topological Polar Surface Area 111.99 Ų
Hydrogen Bond Donors 1
Hydrogen Bond Acceptors 7
Rotatable Bonds 7
Exact Mass 546.24786
Monoisotopic Mass 546.24786
Heavy Atoms 40
Complexity 1396.3407

Chemical Identifiers

CAS Number 478482-98-3
SMILES CC1=NN(C=C1C(C(=O)NC2CCCCC2)N(C3=CC=CC(=C3)C(=O)OC)C(=O)C4COC5=CC=CC=C5O4)C

Product Overview

AC1ML32K (CAS 478482-98-3), with molecular formula C30H34N4O6 and molecular weight 546.24786 g/mol. IUPAC: methyl 3-[[2-(cyclohexylamino)-1-(1,3-dimethylpyrazol-4-yl)-2-oxoethyl]-(2,3-dihydro-1,4-benzodioxine-3-carbonyl)amino]benzoate.

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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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