129644-57-1 | 2-Hydroxy-5-(trifluoromethoxy)benzoic acid

Packsize	Purity	Availability	Price	Discounted Price
250mg	95%	in stock	$15.00	$11.00
1g	95%	in stock	$36.00	$26.00
100g	95%	in stock	$2,810.00	$1,967.00

Description

• Catalog Number: AA45490
• Chemical Name: 2-Hydroxy-5-(trifluoromethoxy)benzoic acid
• CAS Number: 129644-57-1
• Molecular Formula: C8H5F3O4
• Molecular Weight: 222.1181
• MDL Number: MFCD01091003
• SMILES: OC(=O)c1cc(ccc1O)OC(F)(F)F

Computed Properties

• Complexity: 241
• Covalently-Bonded Unit Count: 1
• Heavy Atom Count: 15
• Hydrogen Bond Acceptor Count: 7
• Hydrogen Bond Donor Count: 2
• Rotatable Bond Count: 2
• XLogP3: 3.7

Literature

• In vitro metabolism of CP-122,721 ((2S,3S)-2-phenyl-3-[(5-trifluoromethoxy-2-methoxy)benzylamino]piperidine), a non-peptide antagonist of the substance P receptor.

  Drug metabolism and pharmacokinetics 20071001

• Metabolism, pharmacokinetics, and excretion of the substance P receptor antagonist CP-122,721 in humans: structural characterization of the novel major circulating metabolite 5-trifluoromethoxy salicylic acid by high-performance liquid chromatography-tandem mass spectrometry and NMR spectroscopy.

  Drug metabolism and disposition: the biological fate of chemicals 20070601

• Metabolism and excretion of CP-122,721, a non-peptide antagonist of the neurokinin NK1 receptor, in dogs: identification of the novel cleaved product 5-trifluoromethoxy salicylic acid in plasma.

  Xenobiotica; the fate of foreign compounds in biological systems 20070501