5-(4-Bromophenyl)-3-methylisoxazole - CAS 52063-43-1
Catalog: |
BB027696 |
Product Name: |
5-(4-Bromophenyl)-3-methylisoxazole |
CAS: |
52063-43-1 |
Synonyms: |
5-(4-bromophenyl)-3-methylisoxazole; 5-(4-bromophenyl)-3-methyl-1,2-oxazole |
IUPAC Name: | 5-(4-bromophenyl)-3-methyl-1,2-oxazole |
Description: | 5-(4-Bromophenyl)-3-methylisoxazole (CAS# 52063-43-1) is used in preparation of Isoxazole compounds as therapeutic Lysophosphatidic Acid receptor antagonists. |
Molecular Weight: | 238.08 |
Molecular Formula: | C10H8BrNO |
Canonical SMILES: | CC1=NOC(=C1)C2=CC=C(C=C2)Br |
InChI: | InChI=1S/C10H8BrNO/c1-7-6-10(13-12-7)8-2-4-9(11)5-3-8/h2-6H,1H3 |
InChI Key: | AKCVUKKYCZTWKS-UHFFFAOYSA-N |
LogP: | 3.41250 |
Publication Number | Title | Priority Date |
WO-2019126099-A1 | Isoxazole n-linked carbamoyl cyclohexyl acids as lpa antagonists | 20171219 |
EP-3728210-A1 | Isoxazole n-linked carbamoyl cyclohexyl acids as lpa antagonists | 20171219 |
AU-2016358242-A1 | N-substituted indole derivatives as PGE2 receptor modulators | 20151120 |
EP-3377483-A1 | N-substituted indole derivatives as pge2 receptor modulators | 20151120 |
KR-20180081810-A | N-substituted indole derivatives as PGE2 receptor modulators | 20151120 |
Complexity: | 168 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 236.97893 |
Formal Charge: | 0 |
Heavy Atom Count: | 13 |
Hydrogen Bond Acceptor Count: | 2 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 236.97893 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 26 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 3.1 |
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