Bastadin 10

Base Information

• Chemical Name: Bastadin 10
• CAS No.: 127687-08-5
• Molecular Formula: C34H28 Br4 N4 O9
• Molecular Weight: 956.2235
• Pharos Ligand ID: C1D1B3479CPF
• ChEMBL ID: CHEMBL504851
• Mol file: 127687-08-5.mol

Synonyms:bastadin 10;bastadin-10

Chemical Property of Bastadin 10

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 209.51000
• Density: 1.91g/cm³
• LogP: 7.55170
• XLogP3: 7.7
• Hydrogen Bond Donor Count: 7
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 0
• Exact Mass: 955.85488
• Heavy Atom Count: 51
• Complexity: 1250

Purity/Quality:

99.0%min ^*data from raw suppliers

BASTADIN 10 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CNC(=O)C(=NO)CC2=CC(=C(C=C2)OC3=C(C(=CC(=C3)CC(=NO)C(=O)NCC(C4=CC(=C(C=C4)OC5=C(C(=CC1=C5)Br)O)Br)O)Br)O)Br
• Isomeric SMILES: C1CNC(=O)/C(=N\O)/CC2=CC(=C(C=C2)OC3=C(C(=CC(=C3)C/C(=N\O)/C(=O)NC[C@H](C4=CC(=C(C=C4)OC5=C(C(=CC1=C5)Br)O)Br)O)Br)O)Br