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57712-62-6,MFCD00172903
Catalog No.:AA00EDNX

57712-62-6 | 1-Benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
10mg
>95%
1 week  
$358.00   $250.00
- +
500mg
>95%
1 week  
$702.00   $492.00
- +
1g
>95%
1 week  
$963.00   $674.00
- +
5g
>95%
1 week  
$2,458.00   $1,721.00
- +
10g
>95%
1 week  
$3,954.00   $2,768.00
- +
25g
>95%
1 week  
$8,441.00   $5,909.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00EDNX
Chemical Name:
1-Benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile
CAS Number:
57712-62-6
Molecular Formula:
C12H9N3O2
Molecular Weight:
227.2188
MDL Number:
MFCD00172903
SMILES:
N#Cc1cn(Cc2ccccc2)c(=O)[nH]c1=O
Properties
Computed Properties
 
Complexity:
413  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
0.6  

Downstream Synthesis Route

[1]Atkinsonetal.[JournaloftheChemicalSociety,1956,p.4118,4120]

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Title: LEA3D: a computer-aided ligand design for structure-based drug design.

Journal: Journal of medicinal chemistry 20050407

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Additional Info:
SDS
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Tags:57712-62-6 Molecular Formula|57712-62-6 MDL|57712-62-6 SMILES|57712-62-6 1-Benzyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidine-5-carbonitrile