56699-23-1 | Methyl (3,5-dimethyl-1h-pyrazol-4-yl)acetate

Packsize	Purity	Availability	Price	Discounted Price
250mg	96%	in stock	$249.00	$175.00
1g	96%	in stock	$556.00	$390.00
5g	96%	in stock	$1,535.00	$1,074.00

Description

• Catalog Number: AG69367
• Chemical Name: Methyl (3,5-dimethyl-1h-pyrazol-4-yl)acetate
• CAS Number: 56699-23-1
• Molecular Formula: C8H12N2O2
• Molecular Weight: 168.1931
• MDL Number: MFCD07685912
• SMILES: COC(=O)Cc1c(C)n[nH]c1C

Computed Properties

• Complexity: 172
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 12
• Hydrogen Bond Acceptor Count: 3
• Hydrogen Bond Donor Count: 1
• Rotatable Bond Count: 3
• 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