2,3-Dihydro-8-(2-hydroxy-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-1,4-benzodioxin-5-carboxylic acid isopentyl ester

Base Information

• Chemical Name: 2,3-Dihydro-8-(2-hydroxy-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-1,4-benzodioxin-5-carboxylic acid isopentyl ester
• CAS No.: 85851-95-2
• Molecular Formula: C33H44 N2 O10
• Molecular Weight: 628.70986
• European Community (EC) Number: 288-656-6
• Nikkaji Number: J310.898H
• Mol file: 85851-95-2.mol

Synonyms:2,3-dihydro-8-(2-hydroxy-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)-propoxy)-1,4-benzodioxin-5-carboxylic acid isopentyl ester;2,3-dihydro-8-(2-hydroxy-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-1,4-benzodioxin-5-carboxylic acid isopentyl ester;TPBE

Chemical Property of 2,3-Dihydro-8-(2-hydroxy-3-(4-(1-oxo-3-(3,4,5-trimethoxyphenyl)-2-propenyl)-1-piperazinyl)propoxy)-1,4-benzodioxin-5-carboxylic acid isopentyl ester

Chemical Property:

• Boiling Point: 810.6oC at 760 mmHg
• Flash Point: 444.1oC
• PSA: 125.46000
• Density: 1.222g/cm3
• LogP: 3.15960
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 15
• Exact Mass: 628.29959560
• Heavy Atom Count: 45
• Complexity: 928

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)CCOC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)C=CC4=CC(=C(C(=C4)OC)OC)OC)O)OCCO2
• Isomeric SMILES: CC(C)CCOC(=O)C1=C2C(=C(C=C1)OCC(CN3CCN(CC3)C(=O)/C=C/C4=CC(=C(C(=C4)OC)OC)OC)O)OCCO2