54761-87-4 | 2-Benzoyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one

Packsize	Purity	Availability	Price	Discounted Price
250mg	99%	in stock	$79.00	$55.00
1g	99%	in stock	$185.00	$130.00
5g	99%	in stock	$553.00	$388.00
10g	99%	in stock	$922.00	$646.00
25g	99%	in stock	$1,844.00	$1,291.00

Description

• Catalog Number: AB47348
• Chemical Name: 2-Benzoyl-1,2,3,6,7,11b-hexahydro-pyrazino[2,1-a]isoquinolin-4-one
• CAS Number: 54761-87-4
• Molecular Formula: C19H18N2O2
• Molecular Weight: 306.3584
• MDL Number: MFCD00552738
• SMILES: O=C(N1CC(=O)N2C(C1)c1ccccc1CC2)c1ccccc1

Computed Properties

• Complexity: 472
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 23
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Undefined Atom Stereocenter Count: 1
• XLogP3: 2.2

Literature

• Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

  Bioorganic & medicinal chemistry letters 20101101