Propyl pyrazole triol

Base Information

• Chemical Name: Propyl pyrazole triol
• CAS No.: 263717-53-9
• Molecular Formula: C24H22 N2 O3
• Molecular Weight: 386.44
• UNII: 0T83Y6JZPF
• DSSTox Substance ID: DTXSID9040392
• Nikkaji Number: J1.473.177F,J3.570.983E
• Wikipedia: Propylpyrazoletriol
• Wikidata: Q25100746,Q27163803
• Pharos Ligand ID: 3DBXT1ZTWNCT
• Metabolomics Workbench ID: 63154
• ChEMBL ID: CHEMBL441282
• Mol file: 263717-53-9.mol

Synonyms:1,3,5-tris(4-hydroxyphenyl)-4-propyl-1H-pyrazole;1,3,5-trisHOPhPP;4,4',4''-(4-propyl-((1)H)-pyrazole-1,3,5-triyl) tris-phenol;4,4',4''-(4-propyl-(1H)-pyrazole-1,3,5-triyl)trisphenol;phenol, 4,4',4''-(4-propyl-1H-pyrazole-1,3,5-triyl)tris-;PPT cpd;PPT trisphenol compound;PPTP cpd;propyl pyrazole triol;propyl-(1H)-pyrazole-1,3,5-triyltrisphenol;propylpyrazole triol

Chemical Property of Propyl pyrazole triol

Chemical Property:

• Melting Point: 230 °C (decomp)
• Boiling Point: 630°Cat760mmHg
• PKA: 8.80±0.15(Predicted)
• Flash Point: 334.8°C
• PSA: 78.51000
• Density: 1.24g/cm³
• LogP: 5.27560
• Storage Temp.: 2-8°C
• Solubility.: DMSO: 20 mg/mL, soluble
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 386.16304257
• Heavy Atom Count: 29
• Complexity: 494

Purity/Quality:

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

PPT ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC1=C(N(N=C1C2=CC=C(C=C2)O)C3=CC=C(C=C3)O)C4=CC=C(C=C4)O
• Uses: PPT is a potent and specific ERα agonist.