4-(Chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole - CAS 1268245-50-6
Catalog: |
BB006674 |
Product Name: |
4-(Chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole |
CAS: |
1268245-50-6 |
Synonyms: |
4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole; 4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole |
IUPAC Name: | 4-(chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)-1,2-oxazole |
Description: | 4-(Chloromethyl)-5-cyclopropyl-3-(2,6-dichlorophenyl)isoxazole (CAS# 1268245-50-6) is a useful research chemical. |
Molecular Weight: | 302.58 |
Molecular Formula: | C13H10Cl3NO |
Canonical SMILES: | C1CC1C2=C(C(=NO2)C3=C(C=CC=C3Cl)Cl)CCl |
InChI: | InChI=1S/C13H10Cl3NO/c14-6-8-12(17-18-13(8)7-4-5-7)11-9(15)2-1-3-10(11)16/h1-3,7H,4-6H2 |
InChI Key: | MDFXZDUEXDDCOP-UHFFFAOYSA-N |
LogP: | 5.26460 |
Publication Number | Title | Priority Date |
WO-2021108974-A1 | Compounds for modulating activity of fxr and uses thereof | 20191203 |
WO-2021109712-A1 | Compounds for modulating activity of fxr and uses thereof | 20191203 |
WO-2021109713-A1 | Use and pharmaceutical composition of phenylisoxazolyl methylene-naphthalene-ether derivatives | 20191203 |
US-2020361920-A1 | Isoxazole derivatives as fxr agonists and methods of use thereof | 20190513 |
WO-2020231917-A1 | Isoxazole derivatives as fxr agonists and methods of use thereof | 20190513 |
Complexity: | 290 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 300.982797 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 300.982797 |
Rotatable Bond Count: | 3 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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