Neobavaisoflavone

Base Information

• Chemical Name: Neobavaisoflavone
• CAS No.: 41060-15-5
• Molecular Formula: C20H18O4
• Molecular Weight: 322.361
• DSSTox Substance ID: DTXSID30415769
• Nikkaji Number: J45.332C
• Wikidata: Q27135233
• Metabolomics Workbench ID: 22165
• ChEMBL ID: CHEMBL512693
• Mol file: 41060-15-5.mol

Synonyms:neobavaisoflavone

Chemical Property of Neobavaisoflavone

Chemical Property:

• Melting Point: 195-196oC
• Boiling Point: 545.0±50.0 °C(Predicted)
• PKA: 6.92±0.20(Predicted)
• PSA: 70.67000
• Density: 1.279
• LogP: 4.37990
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 322.12050905
• Heavy Atom Count: 24
• Complexity: 532

Purity/Quality:

98% ^*data from raw suppliers

Neobavaisoflavone ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(=CCC1=C(C=CC(=C1)C2=COC3=C(C2=O)C=CC(=C3)O)O)C
• Uses: Neobavaisoflavone is a DNA polymerase inhibitor and platelet aggregation inhibitor.

Technology Process of Neobavaisoflavone

There total 1 articles about Neobavaisoflavone which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

→ neobavaisoflavone (41060-15-5)

Guidance literature:

Isoflavon 5, Hydrolyse mit NaOH in H2O/CH3OH;

DOI:10.1246/bcsj.51.2398