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163521-19-5,MFCD09833264
Catalog No.:AA001U46

163521-19-5 | 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
>98%
in stock  
$1,322.00   $925.00
- +
10mg
>98%
in stock  
$2,100.00   $1,470.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001U46
Chemical Name:
5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid
CAS Number:
163521-19-5
Molecular Formula:
C26H26N4O3
Molecular Weight:
442.5096
MDL Number:
MFCD09833264
SMILES:
N#Cc1ccc2c(c1)c(CCCCN1CCN(CC1)c1ccc3c(c1)cc(o3)C(=O)O)c[nH]2
Properties
Properties
 
Form:
Solid  
MP:
>178°C (dec.)  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
730  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
33  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
7  
XLogP3:
2.4  

Downstream Synthesis Route

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

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

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

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

2-chloro-1-methylpyridiniummethanesulfonate 
  163521-19-5    163521-12-8 

[1]CurrentPatentAssignee:MERCKKGAA;DEANASHBYFAMILYTRUSTDATEDDECEMBER11-US5532241,1996,A

Literature

Title: Chavan, B. B., et al. Identification and characterization of vilazodone metabolites in rats and microsomes by ultrahigh-performance liquid chromatography/quadrupole time-of-flight tandem mass spectrometry. Rapid Communications in Mass Spectrometry. 2017. 31(23), 1974–1984.

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Tags:163521-19-5 Molecular Formula|163521-19-5 MDL|163521-19-5 SMILES|163521-19-5 5-(4-(4-(5-Cyano-1H-indol-3-yl)butyl)piperazin-1-yl)benzofuran-2-carboxylic acid