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913836-00-7,MFCD09027231
Catalog No.:AA006N7J

913836-00-7 | 4-Boronobenzenesulfonic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
98%
in stock  
$170.00   $119.00
- +
250mg
98%
in stock  
$329.00   $230.00
- +
1g
98%
in stock  
$1,043.00 $730.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA006N7J
Chemical Name:
4-Boronobenzenesulfonic acid
CAS Number:
913836-00-7
Molecular Formula:
C6H7BO5S
Molecular Weight:
201.9928
MDL Number:
MFCD09027231
SMILES:
OB(c1ccc(cc1)S(=O)(=O)O)O
Properties
Properties
 
Storage:
2-8℃;  

Computed Properties
 
Complexity:
249  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  

Downstream Synthesis Route
trans-4-3-bromo-6-(butylamino)-1H-pyrazolo3,4-dpyrimidin-1-ylcyclohexan-1-ol 
  913836-00-7   
4-(1-(trans-4-hydroxycyclohexyl)-6-(butylamino)-1H-pyrazolo3,4-dpyrimidin-3-yl)benzenesulfonicacid 

[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
Quotation Request
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SDS
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Tags:913836-00-7 Molecular Formula|913836-00-7 MDL|913836-00-7 SMILES|913836-00-7 4-Boronobenzenesulfonic acid
Catalog No.: AA006N7J
913836-00-7,MFCD09027231
913836-00-7 | 4-Boronobenzenesulfonic acid
Pack Size： 100mg
Purity： 98%
in stock
$170.00 $119.00
Pack Size： 250mg
Purity： 98%
in stock
$329.00 $230.00
Pack Size： 1g
Purity： 98%
in stock
$1,043.00 $730.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA006N7J
Chemical Name: 4-Boronobenzenesulfonic acid
CAS Number: 913836-00-7
Molecular Formula: C6H7BO5S
Molecular Weight: 201.9928
MDL Number: MFCD09027231
SMILES: OB(c1ccc(cc1)S(=O)(=O)O)O
Properties
Storage: 2-8℃;  
Complexity: 249  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
Downstream Synthesis Route
trans-4-3-bromo-6-(butylamino)-1H-pyrazolo3,4-dpyrimidin-1-ylcyclohexan-1-ol 
  913836-00-7   
4-(1-(trans-4-hydroxycyclohexyl)-6-(butylamino)-1H-pyrazolo3,4-dpyrimidin-3-yl)benzenesulfonicacid 

[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]

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