4-(Bromomethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole - CAS 946427-86-7
Catalog: |
BB041442 |
Product Name: |
4-(Bromomethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole |
CAS: |
946427-86-7 |
Synonyms: |
4-(bromomethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole; 4-(bromomethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole |
IUPAC Name: | 4-(bromomethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole |
Description: | 4-(Bromomethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]isoxazole (CAS# 946427-86-7 ) is a useful research chemical. |
Molecular Weight: | 362.14 |
Molecular Formula: | C14H11BrF3NO2 |
Canonical SMILES: | C1CC1C2=C(C(=NO2)C3=CC=CC=C3OC(F)(F)F)CBr |
InChI: | InChI=1S/C14H11BrF3NO2/c15-7-10-12(19-21-13(10)8-5-6-8)9-3-1-2-4-11(9)20-14(16,17)18/h1-4,8H,5-7H2 |
InChI Key: | DEZDVAAAZZONAM-UHFFFAOYSA-N |
LogP: | 5.01250 |
Publication Number | Title | Priority Date |
WO-2021161216-A1 | Farnesoid x receptor modulating compounds and methods of using the same | 20200211 |
WO-2020249064-A1 | Compounds for modulating fxr | 20190614 |
JP-2020200308-A | Combinations for the treatment of NASH / NAFLD and related diseases | 20190520 |
WO-2020234726-A1 | Combinations comprising benzodioxol as glp-1r agonists for use in the treatment of nash/nafld and related diseases | 20190520 |
WO-2020211872-A1 | Fxr small molecule agonist and preparation method therefor and use thereof | 20190419 |
Complexity: | 365 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 360.99253 |
Formal Charge: | 0 |
Heavy Atom Count: | 21 |
Hydrogen Bond Acceptor Count: | 6 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 360.99253 |
Rotatable Bond Count: | 4 |
Topological Polar Surface Area: | 35.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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