N-Trityl Candesartan Ethyl Ester

Base Information

• Chemical Name: N-Trityl Candesartan Ethyl Ester
• CAS No.: 856414-35-2
• Molecular Formula: C45H38N6O3
• Molecular Weight: 710.835
• DSSTox Substance ID: DTXSID20475650
• Wikidata: Q72515536
• Mol file: 856414-35-2.mol

Synonyms:N-Trityl Candesartan Ethyl Ester;856414-35-2;ethyl 2-ethoxy-3-[[4-[2-(1-trityltetrazol-5-yl)phenyl]phenyl]methyl]benzimidazole-4-carboxylate;SCHEMBL3873571;DTXSID20475650;BCP08526;FT-0675680;Ethyl 2-ethoxy-1-((2'-(1-trityl-1H-tetrazol-5-yl)-[1,1'-biphenyl]-4-yl)methyl)-1H-benzo[d]imidazole-7-carboxylate

Chemical Property of N-Trityl Candesartan Ethyl Ester

Chemical Property:

• Melting Point: 160-162°C
• Boiling Point: 881.3±75.0 °C(Predicted)
• PKA: 4.23±0.10(Predicted)
• Flash Point: 486.819oC
• PSA: 96.95000
• Density: 1.22
• LogP: 8.82070
• Storage Temp.: Refrigerator
• Solubility.: Chloroform (Slightly), Ethyl Acetate (Slightly)
• XLogP3: 9.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 13
• Exact Mass: 710.30053910
• Heavy Atom Count: 54
• Complexity: 1120

Purity/Quality:

98%Min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCOC1=NC2=CC=CC(=C2N1CC3=CC=C(C=C3)C4=CC=CC=C4C5=NN=NN5C(C6=CC=CC=C6)(C7=CC=CC=C7)C8=CC=CC=C8)C(=O)OCC