5469-26-1 | 1-Bromopinacolone

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$19.00	$13.00
5g	95%	in stock	$41.00	$29.00
25g	95%	in stock	$89.00	$62.00
100g	95%	in stock	$259.00	$181.00

Description

• Catalog Number: AB58119
• Chemical Name: 1-Bromopinacolone
• CAS Number: 5469-26-1
• Molecular Formula: C6H11BrO
• Molecular Weight: 179.0549
• MDL Number: MFCD00000206
• SMILES: BrCC(=O)C(C)(C)C
• NSC Number: 25307

Computed Properties

• Complexity: 91.2
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 8
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 2.1

Literature

• Design, synthesis and biological evaluation of Trypanosoma brucei trypanothione synthetase inhibitors.

  ChemMedChem 20120102

• 3,3-Dimethyl-1-[5-(1H-1,2,4-triazol-1-yl-meth-yl)-1,3,4-thia-diazol-2-ylsulfan-yl]butan-2-one.

  Acta crystallographica. Section E, Structure reports online 20080201