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Home Other Building Blocks 111082-76-9
111082-76-9,MFCD00079679
Catalog No.:AA003OD8

111082-76-9 | Boc-d-3-benzothienylalanine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$44.00   $31.00
- +
5g
95%
in stock  
$129.00   $90.00
- +
25g
95%
in stock  
$426.00   $298.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003OD8
Chemical Name:
Boc-d-3-benzothienylalanine
CAS Number:
111082-76-9
Molecular Formula:
C16H19NO4S
Molecular Weight:
321.3914
MDL Number:
MFCD00079679
SMILES:
O=C(OC(C)(C)C)N[C@@H](C(=O)O)Cc1csc2c1cccc2
Properties
Properties
 
Form:
Solid  
MP:
63-67℃(Solv: ethanol (64-17-5))  
Storage:
Inert atmosphere;2-8℃;  

Computed Properties
 
Complexity:
421  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Heavy Atom Count:
22  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
6  
XLogP3:
3.5  

Downstream Synthesis Route

[1]Locationinpatent:schemeortableChaturvedula,PrasadV.;Pin,Sokhom;Tholady,George;Conway,CharlieM.;MacOr,JohnE.;Dubowchik,GeneM.[BioorganicandMedicinalChemistryLetters,2012,vol.22,#14,p.4719-4722]

[2]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2003/104236,2003,A1Locationinpatent:Page175-176

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US2008/242694,2008,A1Locationinpatent:Page/Pagecolumn47

[2]CurrentPatentAssignee:IDORSIAPHARMACEUTICALSLTD-WO2022/194399,2022,A1

[1]CurrentPatentAssignee:FERROTHERAPEUTICSINC-US2019/263802,2019,A1Locationinpatent:Paragraph0991

[1]CurrentPatentAssignee:HELSINNTHERAPEUTICSUS-US5977178,1999,A

[1]CurrentPatentAssignee:IDORSIAPHARMACEUTICALSLTD-WO2022/194399,2022,A1Locationinpatent:Page/Pagecolumn61;67;96

[2]CurrentPatentAssignee:IDORSIAPHARMACEUTICALSLTD-WO2022/194399,2022,A1Locationinpatent:Page/Pagecolumn61;67;96

Literature
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SDS
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Tags:111082-76-9 Molecular Formula|111082-76-9 MDL|111082-76-9 SMILES|111082-76-9 Boc-d-3-benzothienylalanine