2-(4-(3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy)phenoxy)acetic acid

Base Information

• Chemical Name: 2-(4-(3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy)phenoxy)acetic acid
• CAS No.: 79558-09-1
• Deprecated CAS: 242149-08-2
• Molecular Formula: C22H26 O7
• Molecular Weight: 402.444
• Hs Code.: 2918990090
• UNII: 7RV682Z3FQ
• DSSTox Substance ID: DTXSID6040745
• Nikkaji Number: J1.333.804C
• Wikipedia: L-165041
• Wikidata: Q15708302
• Pharos Ligand ID: K9N4Q2P66HYS
• Metabolomics Workbench ID: 151227
• ChEMBL ID: CHEMBL153057
• Mol file: 79558-09-1.mol

Synonyms:4-(3-(2-propyl-3-hydroxy-4-acetyl)phenoxy)propyloxyphenoxy acetic acid;L 165041;L-165041

Chemical Property of 2-(4-(3-(4-Acetyl-3-hydroxy-2-propylphenoxy)propoxy)phenoxy)acetic acid

Chemical Property:

• Appearance/Colour: white powder
• Vapor Pressure: 2.47E-15mmHg at 25°C
• Melting Point: 127-128oC(lit.)
• Refractive Index: 1.567
• Boiling Point: 601.8oC at 760 mmHg
• PKA: 3.23±0.10(Predicted)
• Flash Point: 206.9oC
• PSA: 102.29000
• Density: 1.227g/cm3
• LogP: 3.85860
• Storage Temp.: −20°C
• Solubility.: DMSO: >10 mg/mL
• XLogP3: 4.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 12
• Exact Mass: 402.16785316
• Heavy Atom Count: 29
• Complexity: 501

Purity/Quality:

98%,99%, ^*data from raw suppliers

L-165,041 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCC1=C(C=CC(=C1O)C(=O)C)OCCCOC2=CC=C(C=C2)OCC(=O)O
• Uses: L-165,041 has been used as a peroxisome proliferator-activated receptor β/δ (PPARβ/δ) ligand to study its influence on PPARβ/δ mediated postnatal myogenesis in C2C12 myoblasts.