2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene - CAS 1030825-20-7

Catalog: BB001013
Product Name: 2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene
CAS: 1030825-20-7
Synonyms: 2-(4-fluorophenyl)-5-[(5-bromo-2-methylphenyl)methyl]thiophene; Thiophene, 2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)-; Canagliflozin Impurity 29
2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene
IUPAC Name:2-[(5-bromo-2-methylphenyl)methyl]-5-(4-fluorophenyl)thiophene
Description:2-(5-bromo-2-methylbenzyl)-5-(4-fluorophenyl)thiophene is an impurity of Canagliflozin which is a sodium/glucose cotransporter 2 (SGLT2) inhibitor and is used in the treatment of type 2 diabetes and obesity.
Molecular Weight:361.27
Molecular Formula:C18H14BrFS
Canonical SMILES:CC1=C(C=C(C=C1)Br)CC2=CC=C(S2)C3=CC=C(C=C3)F
InChI:InChI=1S/C18H14BrFS/c1-12-2-5-15(19)10-14(12)11-17-8-9-18(21-17)13-3-6-16(20)7-4-13/h2-10H,11H2,1H3
InChI Key:VLRIERSBZHUCOW-UHFFFAOYSA-N
Boiling Point:438.3±40.0 °C at 760 mmHg
Melting Point:101-103°C
Density:1.388±0.06 g/cm3
Solubility:Soluble in DMSO (Slightly, Heated), Hexanes (Slightly, Heated)
Appearance:White to Off-white Solid
MDL:MFCD21496340
LogP:6.21590

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