Unii-Q70OH404HR

Base Information

• Chemical Name: Unii-Q70OH404HR
• CAS No.: 177469-96-4
• Molecular Formula: C35H37 N3 O2
• Molecular Weight: 531.6872
• ChEMBL ID: CHEMBL4752650
• Mol file: 177469-96-4.mol

Synonyms:UNII-Q70OH404HR;AEGR 427;AEGR-427;SCHEMBL3098769;CHEMBL4752650;AKOS040741876;HY-106130;CS-0024943

Chemical Property of Unii-Q70OH404HR

Chemical Property:

• Vapor Pressure: 5.93E-23mmHg at 25°C
• Boiling Point: 739.3°C at 760 mmHg
• PKA: 14.22±0.10(Predicted)
• Flash Point: 400.9°C
• PSA: 67.15000
• Density: 1.21g/cm³
• LogP: 7.36910
• XLogP3: 7.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 8
• Exact Mass: 531.28857743
• Heavy Atom Count: 40
• Complexity: 816

Purity/Quality:

99% ^*data from raw suppliers

IMPLITAPIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=NC2=C1C3=CC=CC=C3N2CC4=CC=C(C=C4)C(C5CCCC5)C(=O)NC(CO)C6=CC=CC=C6)C
• Isomeric SMILES: CC1=CC(=NC2=C1C3=CC=CC=C3N2CC4=CC=C(C=C4)[C@H](C5CCCC5)C(=O)N[C@@H](CO)C6=CC=CC=C6)C