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158966-92-8,MFCD05662278
Catalog No.:AA00AOCH

158966-92-8 | Cyclopropaneacetic acid,1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-

Pack Size
Purity
Availability
Price(USD)
Quantity
  
50mg
≥98%
in stock  
$98.00   $68.00
- +
250mg
99%
in stock  
$101.00   $71.00
- +
5g
95%
in stock  
$1,081.00   $757.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00AOCH
Chemical Name:
Cyclopropaneacetic acid,1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-
CAS Number:
158966-92-8
Molecular Formula:
C35H36ClNO3S
Molecular Weight:
586.1832
MDL Number:
MFCD05662278
SMILES:
OC(=O)CC1(CS[C@@H](c2cccc(c2)/C=C/c2ccc3c(n2)cc(cc3)Cl)CCc2ccccc2C(O)(C)C)CC1
Properties
Computed Properties
 
Complexity:
891  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
1  
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
12  
XLogP3:
7.7  

Downstream Synthesis Route

[1]CurrentPatentAssignee:SHANDONGBESTCOMMPHARMACEUTICAL-CN106831863,2017,ALocationinpatent:Paragraph0101;0102;0103

[2]CurrentPatentAssignee:VIATRISINC-EP1812394,2011,B1Locationinpatent:Page/Pagecolumn9

[3]Satyanarayana,Bollikonda;Reddy,PadiPratap[SyntheticCommunications,2007,vol.37,#4,p.547-551]

[4]CurrentPatentAssignee:VIATRISINC-WO2007/4237,2007,A2Locationinpatent:Page/Pagecolumn8;11;15-16

[5]CurrentPatentAssignee:VIATRISINC-US2011/92708,2011,A1Locationinpatent:Page/Pagecolumn5

C6H8O2S(2-)*Li(1+)*Na(1+) 
  807638-71-7    158966-92-8 

[1]CurrentPatentAssignee:GLADEORGANICSPRIVATE-WO2007/116240,2007,A1Locationinpatent:Page/Pagecolumn12-13

[1]CurrentPatentAssignee:WAVELENGTHPHARMACEUTICALSLTD-US2007/208178,2007,A1Locationinpatent:Page/Pagecolumn6

[1]CurrentPatentAssignee:HANMISCIENCECOLTD-US2011/105757,2011,A1Locationinpatent:Page/Pagecolumn7

[2]CurrentPatentAssignee:TOKUYAMACORPORATION-JP6227963,2017,B2Locationinpatent:Paragraph0056

[3]CurrentPatentAssignee:AUROBINDOPHARMALIMITED-WO2008/1213,2008,A1Locationinpatent:Page/Pagecolumn11-12

[4]CurrentPatentAssignee:MOREPENLAB-WO2009/27990,2009,A1Locationinpatent:Page/Pagecolumn9;10

[5]CurrentPatentAssignee:AUROBINDOPHARMALIMITED-US2009/326232,2009,A1Locationinpatent:Page/Pagecolumn6

[6]CurrentPatentAssignee:NAKKAKRISHNAMURTHYCHANDRA;MAYUKALABSPRIVATE-WO2010/64109,2010,A2Locationinpatent:Page/Pagecolumn5;8;15;16

[7]CurrentPatentAssignee:AUROBINDOPHARMALIMITED-WO2008/1213,2008,A1Locationinpatent:Page/Pagecolumn13-14

[8]CurrentPatentAssignee:KRKADDNOVOMESTO-EP2287154,2011,A1Locationinpatent:Page/Pagecolumn10

[9]CurrentPatentAssignee:KRKADDNOVOMESTO-WO2011/121091,2011,A1Locationinpatent:Page/Pagecolumn35

[10]CurrentPatentAssignee:PERMIRAHOLDINGSLIMITED-EP2502910,2012,A1Locationinpatent:Page/Pagecolumn12-13

[11]CurrentPatentAssignee:PERMIRAHOLDINGSLIMITED-WO2012/123506,2012,A1Locationinpatent:Page/Pagecolumn22-23

[12]CurrentPatentAssignee:TOKUYAMACORPORATION-JP2015/10049,2015,ALocationinpatent:Paragraph0069

[1]CurrentPatentAssignee:TEVAPHARMACEUTICALINDUSTRIESLTD.;MCLEISHNICHOLASALISTAIRMAXW;GALAPAGOS-WO2008/9970,2008,A2Locationinpatent:Page/Pagecolumn29

[2]CurrentPatentAssignee:AUROBINDOPHARMALIMITED-US2009/326232,2009,A1Locationinpatent:Page/Pagecolumn7-8

[3]CurrentPatentAssignee:AUROBINDOPHARMALIMITED-WO2008/1213,2008,A1Locationinpatent:Page/Pagecolumn16

Literature
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SDS
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Tags:158966-92-8 Molecular Formula|158966-92-8 MDL|158966-92-8 SMILES|158966-92-8 Cyclopropaneacetic acid,1-[[[(1R)-1-[3-[(1E)-2-(7-chloro-2-quinolinyl)ethenyl]phenyl]-3-[2-(1-hydroxy-1-methylethyl)phenyl]propyl]thio]methyl]-