4-(Chloromethyl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridyl)isoxazole - CAS 1268245-54-0
Catalog: |
BB006675 |
Product Name: |
4-(Chloromethyl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridyl)isoxazole |
CAS: |
1268245-54-0 |
Synonyms: |
4-(chloromethyl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridinyl)isoxazole; 4-(chloromethyl)-5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)-1,2-oxazole |
IUPAC Name: | 4-(chloromethyl)-5-cyclopropyl-3-(3,5-dichloropyridin-4-yl)-1,2-oxazole |
Description: | 4-(Chloromethyl)-5-cyclopropyl-3-(3,5-dichloro-4-pyridyl)isoxazole (CAS# 1268245-54-0 ) is a useful research chemical. |
Molecular Weight: | 303.57 |
Molecular Formula: | C12H9Cl3N2O |
Canonical SMILES: | C1CC1C2=C(C(=NO2)C3=C(C=NC=C3Cl)Cl)CCl |
InChI: | InChI=1S/C12H9Cl3N2O/c13-3-7-11(17-18-12(7)6-1-2-6)10-8(14)4-16-5-9(10)15/h4-6H,1-3H2 |
InChI Key: | MVZWNBAQYGMVOM-UHFFFAOYSA-N |
LogP: | 4.65960 |
Publication Number | Title | Priority Date |
EP-3632910-A1 | Lactam compound as fxr receptor agonist | 20170526 |
US-2020190074-A1 | Lactam compound as fxr receptor agonist | 20170526 |
WO-2018059314-A1 | Azabicycle derivatives and preparation method and use thereof | 20160928 |
CN-108430998-B | Azabicyclo derivatives, preparation method and application thereof | 20160928 |
AU-2017284160-A1 | FXR (NR1H4) modulating compounds | 20160613 |
Complexity: | 293 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 301.978046 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 301.978046 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 38.9 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.2 |
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