4-Defluoro-4-hydroxy Gefitinib

Base Information

• Chemical Name: 4-Defluoro-4-hydroxy Gefitinib
• CAS No.: 847949-50-2
• Molecular Formula: C22H25ClN4O4
• Molecular Weight: 444.9113
• UNII: M4EV2Y7TJI
• DSSTox Substance ID: DTXSID60458189
• Wikidata: Q82281367
• Mol file: 847949-50-2.mol

Synonyms:4-Defluoro-4-hydroxy Gefitinib;847949-50-2;2-chloro-4-[[7-methoxy-6-(3-morpholin-4-ylpropoxy)quinazolin-4-yl]amino]phenol;M4EV2Y7TJI;2-Chloro-4-[[7-methoxy-6-[3-(4-morpholinyl)propoxy]-4-quinazolinyl]amino]phenol;AGN-PC-071U1N;4-Defluoro-4-hydroxyGefitinib;DTXSID60458189;Gefitinib metabolite M-387783;CHEBI:143396;IQWXTDMHBQBADK-UHFFFAOYSA-N;FT-0665577;V10229;M387783;M-387783;2-Chloro-4-((7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-yl)amino)phenol;Phenol, 2-chloro-4-((7-methoxy-6-(3-(4-morpholinyl)propoxy)-4-quinazolinyl)amino)-

Chemical Property of 4-Defluoro-4-hydroxy Gefitinib

Chemical Property:

• Boiling Point: 596.9±50.0 °C(Predicted)
• PKA: 8.62±0.31(Predicted)
• PSA: 88.97000
• Density: 1.340±0.06 g/cm3(Predicted)
• LogP: 3.85300
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 8
• Exact Mass: 444.1564330
• Heavy Atom Count: 31
• Complexity: 542

Purity/Quality:

97% ^*data from raw suppliers

4-Defluoro-4-hydroxyGefitinib ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: COC1=C(C=C2C(=C1)N=CN=C2NC3=CC(=C(C=C3)O)Cl)OCCCN4CCOCC4
• Uses: A metabolite of Gefitinib (G304000).