Desmethyl Erlotinib Acetate

Base Information

• Chemical Name: Desmethyl Erlotinib Acetate
• CAS No.: 183320-15-2
• Molecular Formula: C23H23N3O5
• Molecular Weight: 421.44582
• DSSTox Substance ID: DTXSID20581467
• Wikidata: Q82472624
• Mol file: 183320-15-2.mol

Synonyms:Desmethyl Erlotinib Acetate;183320-15-2;2-[4-(3-ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxyethyl acetate;Ethanol, 2-[[4-[(3-ethynylphenyl)amino]-7-(2-methoxyethoxy)-6-quinazolinyl]oxy]-, 1-acetate;DesmethylErlotinibAcetate;SCHEMBL1507567;DTXSID20581467;XSMVZQAPXNUGBP-UHFFFAOYSA-N;AKOS030255395;NCGC00189235-01;J-011736;2-{[4-(3-Ethynylanilino)-7-(2-methoxyethoxy)quinazolin-6-yl]oxy}ethyl acetate;6-(2-Acetoxy-ethoxy)-4-(3-ethynyl-phenylamino)-7-(2-methoxy-ethoxy)-quinazoline

Chemical Property of Desmethyl Erlotinib Acetate

Chemical Property:

• Melting Point: 84-870C
• PSA: 91.80000
• LogP: 3.39480
• Storage Temp.: -20°C Freezer
• Solubility.: Chloroform (Slightly), Methanol (Slightly, Sonicated)
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 12
• Exact Mass: 421.16377084
• Heavy Atom Count: 31
• Complexity: 609

Purity/Quality:

NLT 98% ^*data from raw suppliers

DesmethylErlotinibAcetate ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=O)OCCOC1=C(C=C2C(=C1)C(=NC=N2)NC3=CC=CC(=C3)C#C)OCCOC
• Uses: Desmethyl Erlotinib derivative Desmethyl Erlotinib (E625000) derivative.