Home Boronic Acids 957121-13-0
957121-13-0,MFCD09800889
Catalog No.:AA00IJBH

957121-13-0 | N-(4-Fluorophenyl) 4-boronobenzenesulfonamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
98%
in stock  
$38.00   $27.00
- +
1g
98%
in stock  
$93.00   $65.00
- +
5g
98%
in stock  
$236.00   $165.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00IJBH
Chemical Name:
N-(4-Fluorophenyl) 4-boronobenzenesulfonamide
CAS Number:
957121-13-0
Molecular Formula:
C12H11BFNO4S
Molecular Weight:
295.0944
MDL Number:
MFCD09800889
SMILES:
Fc1ccc(cc1)NS(=O)(=O)c1ccc(cc1)B(O)O
Properties
Computed Properties
 
Complexity:
398  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
3  
Rotatable Bond Count:
4  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2013/225588,2013,A1Locationinpatent:Paragraph0349;0350

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2013/225588,2013,A1Locationinpatent:Paragraph0388;0389

957121-13-0   
trans-4-3-bromo-6-(butylamino)-1H-pyrazolo3,4-dpyrimidin-1-ylcyclohexan-1-ol 
 
trans-4-(6-(butylamino)-1-(4-hydroxycyclohexyl)-1H-pyrazolo3,4-dpyrimidin-3-yl)-N-(4-fluorophenyl)benzenesulfonamide 

[1]Liu,Jing;Zhang,Weihe;Stashko,MichaelA.;DeRyckere,Deborah;Cummings,ChristopherT.;Hunter,Debra;Yang,Chao;Jayakody,ChaturaN.;Cheng,Nancy;Simpson,Catherine;Norris-Drouin,Jacqueline;Sather,Susan;Kireev,Dmitri;Janzen,WilliamP.;Earp,H.Shelton;Graham,DouglasK.;Frye,StephenV.;Wang,Xiaodong[EuropeanJournalofMedicinalChemistry,2013,vol.65,p.83-93]

Literature
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SDS
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Tags:957121-13-0 Molecular Formula|957121-13-0 MDL|957121-13-0 SMILES|957121-13-0 N-(4-Fluorophenyl) 4-boronobenzenesulfonamide