42288-08-4 | 3-Methyl-3-(4-methylphenyl)butanoic acid

Packsize	Purity	Availability	Price	Discounted Price
100mg	95%	in stock	$121.00	$85.00
250mg	95%	in stock	$161.00	$113.00
1g	95%	in stock	$386.00	$270.00
5g	95%	in stock	$1,317.00	$922.00

Description

• Catalog Number: AF59181
• Chemical Name: 3-Methyl-3-(4-methylphenyl)butanoic acid
• CAS Number: 42288-08-4
• Molecular Formula: C12H16O2
• Molecular Weight: 192.25423999999998
• MDL Number: MFCD03844683
• SMILES: OC(=O)CC(c1ccc(cc1)C)(C)C

Computed Properties

• Complexity: 200
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 14
• Hydrogen Bond Acceptor Count: 2
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• XLogP3: 2.9

Literature

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

  Bioorganic & medicinal chemistry letters 20101101