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317318-70-0

Basic Information
CAS No.: 317318-70-0
Name: Aceticacid, [2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]-(9CI)
Molecular Structure:
Molecular Structure of 317318-70-0 (Aceticacid, [2-methyl-4-[[[4-methyl-2-[4-(trifluoromethyl)phenyl]-5-thiazolyl]methyl]thio]phenoxy]-(9CI))
Formula: C21H18F3NO3S2
Molecular Weight: 453.50
Synonyms: 2-(4-((2-(4-(Trifluoromethyl)phenyl)-5-methylthiazol-4-yl)methylthio)-2-methylphenoxy)acetic acid;
EINECS: 1592732-453-0
Density: 1.426 g/cm3
Melting Point: 134-136°C
Boiling Point: 584.543 °C at 760 mmHg
Flash Point: 307.321 °C
Solubility:
Appearance: white solid
Hazard Symbols:
Risk Codes:
Safety:
Transport Information:
PSA: 112.96000
LogP: 6.20140
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Chemistry

Molecule structure of GW 501516 (CAS NO.317318-70-0):

IUPAC Name: 2-[2-Methyl-4-[[4-methyl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]methylsulfanyl]phenoxy]acetic acid 
Molecular Weight: 453.49773 g/mol
Molecular Formula: C21H18F3NO3S2 
Density: 1.426 g/cm3
Boiling Point: 584.543 °C at 760 mmHg 
Flash Point: 307.321 °C
Index of Refraction: 1.619
Molar Refractivity: 111.637 cm3
Molar Volume: 318.096 cm3
Surface Tension: 59.053 dyne/cm  
Enthalpy of Vaporization: 91.868 kJ/mol
XLogP3-AA: 5.9
H-Bond Donor: 1
H-Bond Acceptor: 7
Rotatable Bond Count: 7
Exact Mass: 453.068019
MonoIsotopic Mass: 453.068019
Topological Polar Surface Area: 59.4
Heavy Atom Count: 30
Canonical SMILES: CC1=C(C=CC(=C1)SCC2=C(N=C(S2)C3=CC=C(C=C3)C(F)(F)F)C)OCC(=O)O
InChI: InChI=1S/C21H18F3NO3S2/c1-12-9-16(7-8-17(12)28-10-19(26)27)29-11-18-13(2)25-20(30-18)14-3-5-15(6-4-14)21(22,23)24/h3-9H,10-11H2,1-2H3,(H,26,27)
InChIKey: YDBLKRPLXZNVNB-UHFFFAOYSA-N
Product Categories: Intermediates & Fine Chemicals;Pharmaceuticals;Sulfur & Selenium Compounds

Uses

 GW 501516 (CAS NO.317318-70-0) is an experimental drug meant to control lipids and increase the level of HDL, or good cholesterol, in the bloodstream. It is also a cell-permeable, thiazolyl compound that acts as a potent, high affinity, PPARd agonist.

Specification

 GW 501516 (CAS NO.317318-70-0) is also named as GW-501516 ; 2-(4-((2-(4-(Trifluoromethyl)phenyl)-5-ethylthiazol-4-yl)methylthio)-2-methylphenoxy)acetic acid ; Acetic acid, (2-methyl-4-(((4-methyl-2-(4-(trifluoromethyl)phenyl)-5-thiazolyl)methyl)thio)phenoxy)- . GW 501516 (CAS NO.317318-70-0) is white solid.

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