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163521-11-7,MFCD09833263
Catalog No.:AA001U4A

163521-11-7 | Ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate

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Purity
Availability
Price(USD)
Quantity
  
5mg
2 weeks  
$979.00   $685.00
- +
10mg
2 weeks  
$1,674.00   $1,172.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001U4A
Chemical Name:
Ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate
CAS Number:
163521-11-7
Molecular Formula:
C28H30N4O3
Molecular Weight:
470.5628
MDL Number:
MFCD09833263
SMILES:
CCOC(=O)c1oc2c(c1)cc(cc2)N1CCN(CC1)CCCCc1c[nH]c2c1cc(C#N)cc2
Properties
Computed Properties
 
Complexity:
761  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
35  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
9  
XLogP3:
5.3  

Downstream Synthesis Route
143612-79-7   
5-(1-piperazinyl)benzofuran-2-carboxylicacidethylesterhydrochloride 
  163521-11-7 

[1]OrganicProcessResearchandDevelopment,2012,vol.16,p.1552-1557

[2]JournalofMedicinalChemistry,2004,vol.47,p.4684-4692

[1]JournalofMedicinalChemistry,2004,vol.47,p.4684-4692

[1]JournalofMedicinalChemistry,2004,vol.47,p.4684-4692

[1]Hu,Bin;Song,Qiao;Xu,Yungen[OrganicProcessResearchandDevelopment,2012,vol.16,#9,p.1552-1557]

[2]Heinrich,Timo;Böttcher,Henning;Gericke,Rolf;Bartoszyk,GerdD.;Anzali,Soheila;Seyfried,ChristophA.;Greiner,HartmutE.;VanAmsterdam,Christoph[JournalofMedicinalChemistry,2004,vol.47,#19,p.4684-4692]

[3]CurrentPatentAssignee:MRSICMATASA;TEVAPHARMACEUTICALINDUSTRIESLTD.-WO2013/78361,2013,A1Locationinpatent:Paragraph00285

143612-79-7   
5-(piperazin-1-yl)benzofuran-2-carboxylicacidethylester 
  163521-11-7 

[1]Patent:WO2013/78361,2013,A1.Locationinpatent:Paragraph00285

[2]Patent:CN103360373,2016,B.Locationinpatent:Paragraph0031;0057;0058

Literature
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Tags:163521-11-7 Molecular Formula|163521-11-7 MDL|163521-11-7 SMILES|163521-11-7 Ethyl 5-(4-(4-(5-cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylate