60875-16-3 | 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
1g	95%	in stock	$48.00	$34.00
5g	95%	in stock	$125.00	$88.00
25g	95%	in stock	$431.00	$302.00

Description

• Catalog Number: AB65735
• Chemical Name: 4-(3-Methyl-5-oxo-2-pyrazolin-1-yl)benzoic acid
• CAS Number: 60875-16-3
• Molecular Formula: C11H10N2O3
• Molecular Weight: 218.2087
• MDL Number: MFCD00003135
• SMILES: OC(=O)c1ccc(cc1)N1N=C(CC1=O)C

Computed Properties

• Complexity: 343
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 16
• Hydrogen Bond Acceptor Count: 4
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 2
• XLogP3: 0.8

Literature

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

  Bioorganic & medicinal chemistry letters 20101101