1'-Benzyl-2-(4-methoxyphenyl)-9-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

Base Information

• Chemical Name: 1'-Benzyl-2-(4-methoxyphenyl)-9-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]
• CAS No.: 5304-71-2
• Molecular Formula: C33H36O8
• Molecular Weight: 560.63
• DSSTox Substance ID: DTXSID50409847
• Mol file: 5304-71-2.mol

Synonyms:1'-benzyl-2-(4-methoxyphenyl)-9-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine];AC1NPL22;DTXSID50409847;AKOS005658069

Chemical Property of 1'-Benzyl-2-(4-methoxyphenyl)-9-methylspiro[1,10b-dihydropyrazolo[1,5-c][1,3]benzoxazine-5,4'-piperidine]

Chemical Property:

• Melting Point: 94℃
• Boiling Point: 777.6±60.0 °C(Predicted)
• PKA: 4.58±0.36(Predicted)
• PSA: 37.30000
• Density: 1.36±0.1 g/cm3(Predicted)
• LogP: 4.85080
• XLogP3: 5.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 453.24162724
• Heavy Atom Count: 34
• Complexity: 719

Purity/Quality:

98%Min ^*data from raw suppliers

Morellic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)OC3(CCN(CC3)CC4=CC=CC=C4)N5C2CC(=N5)C6=CC=C(C=C6)OC
• Uses: Morellic Acid is used as a protein tyrosine phosphatase 1B (PTP1B) inhibitor in the treatment of diabetes or cancer.