5-(Chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole - CAS 317318-97-1
Catalog: |
BB021041 |
Product Name: |
5-(Chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole |
CAS: |
317318-97-1 |
Synonyms: |
5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]thiazole; 5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole |
IUPAC Name: | 5-(chloromethyl)-4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazole |
Description: | Intermediate in the production of GW 501516 and its derivatives. |
Molecular Weight: | 291.72 |
Molecular Formula: | C12H9ClF3NS |
Canonical SMILES: | CC1=C(SC(=N1)C2=CC=C(C=C2)C(F)(F)F)CCl |
InChI: | InChI=1S/C12H9ClF3NS/c1-7-10(6-13)18-11(17-7)8-2-4-9(5-3-8)12(14,15)16/h2-5H,6H2,1H3 |
InChI Key: | JQVJAQPUFIIRJP-UHFFFAOYSA-N |
Boiling Point: | 363.5 °C at 760 mmHg |
Density: | 1.357 g/cm3 |
Appearance: | Yellow solid |
MDL: | MFCD03791173 |
LogP: | 4.87610 |
GHS Hazard Statement: | H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] |
Precautionary Statement: | P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501 |
Signal Word: | Warning |
Publication Number | Title | Priority Date |
CN-109897013-A | A kind of preparation method of selective PPAR delta agonists GW501516 | 20190331 |
WO-2019051207-A1 | PROXISOME PROLIFER ACTIVATED RECEPTOR (PPAR) AGONIST ANALOGS AND METHODS OF USING THE SAME | 20170908 |
US-10181018-B2 | Analogs of proxisome proliferator activated receptor (PPAR) agonists and methods of using the same | 20130314 |
US-10351541-B2 | Proxisome proliferator activated receptor (PPAR) compounds and methods of using the same | 20130314 |
US-2016016920-A1 | Analogs of Peroxisome Proliferator Activated Receptor (PPAR) Agonists, and Methods of Using the Same | 20130314 |
Complexity: | 279 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 291.0096326 |
Formal Charge: | 0 |
Heavy Atom Count: | 18 |
Hydrogen Bond Acceptor Count: | 5 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 291.0096326 |
Rotatable Bond Count: | 2 |
Topological Polar Surface Area: | 41.1 Å2 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
XLogP3: | 4.3 |
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