2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic Acid - CAS 1221722-10-6

Catalog: BB076165
Product Name: 2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic Acid
CAS: 1221722-10-6
Synonyms: 2-METHYL-3-(4-TRIFLUOROMETHOXYPHENYL)BENZOIC ACID; Sonidegib metabolite M48; 2-methyl-3-[4-(trifluoromethoxy)phenyl]benzoic acid; 2-methyl-4'-(trifluoromethoxy)-[1,1'-biphenyl]-3-carboxylic acid; (2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic acid; (1,1'-Biphenyl)-3-carboxylic acid, 2-methyl-4'-(trifluoromethoxy)-
2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic Acid
IUPAC Name:2-methyl-3-[4-(trifluoromethoxy)phenyl]benzoic acid
Description:2-Methyl-3-(4-trifluoromethoxyphenyl)benzoic Acid is a useful research chemical used in the clinical discovery of NVP-LDE225 as selective Smoothened antagonist.
Molecular Weight:296.24
Molecular Formula:C15H11F3O3
Canonical SMILES:CC1=C(C=CC=C1C(=O)O)C2=CC=C(C=C2)OC(F)(F)F
InChI:InChI=1S/C15H11F3O3/c1-9-12(3-2-4-13(9)14(19)20)10-5-7-11(8-6-10)21-15(16,17)18/h2-8H,1H3,(H,19,20)
InChI Key:LNRROOUNLXDADK-UHFFFAOYSA-N
Melting Point:113-115°C
Solubility:DMSO (Slightly), Methanol (Slightly)
Appearance:White Solid
Storage:-20°C Freezer
References:Pan, S., et al. ACS Med. Chem. Lett., 1, 130 (2010).

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