[(1S,2R,3S,5S,6R)-2-Benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] benzoate

Base Information

• Chemical Name: [(1S,2R,3S,5S,6R)-2-Benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] benzoate
• CAS No.: 50656-88-7
• Molecular Formula: C22H25NO3
• Molecular Weight: 351.4

Synonyms:50656-88-7;[(1S,2R,3S,5S,6R)-2-Benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] benzoate

Chemical Property of [(1S,2R,3S,5S,6R)-2-Benzyl-3-hydroxy-8-methyl-8-azabicyclo[3.2.1]octan-6-yl] benzoate

Chemical Property:

• PKA: 14.44±0.60(Predicted)
• XLogP3: 3.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 5
• Exact Mass: 351.18344366
• Heavy Atom Count: 26
• Complexity: 484

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

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MSDS Files:

Useful:

• Canonical SMILES: CN1C2CC(C(C1CC2OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4)O
• Isomeric SMILES: CN1[C@H]2C[C@@H]([C@@H]([C@@H]1C[C@H]2OC(=O)C3=CC=CC=C3)CC4=CC=CC=C4)O

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