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21139-31-1,MFCD00425492
Catalog No.:AA002L8Z

21139-31-1 | 5-Chloro-3-phenyl-1h-indole-2-carboxylic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$112.00   $78.00
- +
1g
95%
in stock  
$123.00   $86.00
- +
5g
≥ 95% (NMR)
in stock  
$572.00   $400.00
- +
10g
≥ 95% (NMR)
in stock  
$899.00   $629.00
- +
25g
≥ 95% (NMR)
in stock  
$1,684.00   $1,179.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA002L8Z
Chemical Name:
5-Chloro-3-phenyl-1h-indole-2-carboxylic acid
CAS Number:
21139-31-1
Molecular Formula:
C15H10ClNO2
Molecular Weight:
271.6984
MDL Number:
MFCD00425492
SMILES:
Clc1ccc2c(c1)c(c1ccccc1)c([nH]2)C(=O)O
Properties
Computed Properties
 
Complexity:
343  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
19  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
2  
XLogP3:
4.2  

Downstream Synthesis Route

[1]Patent:US2012/28990,2012,A1.Locationinpatent:Page/Pagecolumn19

[1]CurrentPatentAssignee:NEUROTUNE-WO2012/59443,2012,A2Locationinpatent:Page/Pagecolumn29-30

[2]Coluccia,Antonio;LaRegina,Giuseppe;Barilone,Nathalie;Lisa,María-Natalia;Brancale,Andrea;André-Leroux,Gwenaëlle;Alzari,PedroM.;Silvestri,Romano[Lettersindrugdesignanddiscovery,2016,vol.13,#10,p.1012-1018]

[3]Abdelrahman,MostafaH.;Aboraia,AhmedS.;Youssif,BahaaG.M.;Elsadek,BakheetE.M.[ChemicalBiologyandDrugDesign,2017,vol.90,#1,p.64-82]

733756-63-3    21139-31-1   
5-chloro-N-(4-morpholinophenethyl)-3-phenyl-1H-indole-2-carboxamide 

[1]Abdelrahman,MostafaH.;Aboraia,AhmedS.;Youssif,BahaaG.M.;Elsadek,BakheetE.M.[ChemicalBiologyandDrugDesign,2017,vol.90,#1,p.64-82]

Literature
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Additional Info:
SDS
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Tags:21139-31-1 Molecular Formula|21139-31-1 MDL|21139-31-1 SMILES|21139-31-1 5-Chloro-3-phenyl-1h-indole-2-carboxylic acid |Halogenated_Heterocycles