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Home  > 2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol

AB58848

111974-69-7 | 2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol

Packsize Purity Availability Price Discounted Price    Quantity
25mg 98% in stock $51.00 $36.00 -   +
100mg 98% in stock $146.00 $103.00 -   +
250mg 98% in stock $289.00 $203.00 -   +
1g 98% in stock $876.00 $613.00 -   +

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*All prices are in USD.

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Description
Catalog Number: AB58848
Chemical Name: 2-[2-(4-{2-thia-9-azatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,9,12,14-heptaen-10-yl}piperazin-1-yl)ethoxy]ethan-1-ol
CAS Number: 111974-69-7
Molecular Formula: C21H25N3O2S
Molecular Weight: 383.50710000000004
MDL Number: MFCD00866699
SMILES: OCCOCCN1CCN(CC1)C1=Nc2ccccc2Sc2c1cccc2
NSC Number: 758918

 

Computed Properties
Complexity: 496  
Covalently-Bonded Unit Count: 1  
Heavy Atom Count: 27  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Rotatable Bond Count: 6  
XLogP3: 2.1  

 

 

Upstream Synthesis Route 
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