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848133-17-5,MFCD26792555
Catalog No.:AA00GAFK

848133-17-5 | (E)-N-(4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
≥98%
in stock  
$89.00   $62.00
- +
5mg
≥98%
in stock  
$342.00   $239.00
- +
10mg
≥98%
in stock  
$462.00   $323.00
- +
25mg
≥98%(HPLC)
in stock  
$1,100.00   $770.00
- +
50mg
≥98%(HPLC)
in stock  
$1,718.00   $1,203.00
- +
100mg
≥98%(HPLC)
in stock  
$2,709.00   $1,897.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00GAFK
Chemical Name:
(E)-N-(4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
CAS Number:
848133-17-5
Molecular Formula:
C31H29ClFN5O3
Molecular Weight:
574.0451
MDL Number:
MFCD26792555
SMILES:
CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN(C)C)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)C#N
Properties
Computed Properties
 
Complexity:
915  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
1  
Formal Charge:
0  
Heavy Atom Count:
41  
Hydrogen Bond Acceptor Count:
8  
Hydrogen Bond Donor Count:
2  
Isotope Atom Count:
0  
Rotatable Bond Count:
11  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
6  

Downstream Synthesis Route

[1]JournalofMedicinalChemistry,2005,vol.48,p.1107-1131

Literature

Title: Optimization of 6,7-disubstituted-4-(arylamino)quinoline-3-carbonitriles as orally active, irreversible inhibitors of human epidermal growth factor receptor-2 kinase activity.

Journal: Journal of medicinal chemistry 20050224

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SDS
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Tags:848133-17-5 Molecular Formula|848133-17-5 MDL|848133-17-5 SMILES|848133-17-5 (E)-N-(4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
Catalog No.: AA00GAFK
848133-17-5,MFCD26792555
848133-17-5 | (E)-N-(4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
Pack Size： 1mg
Purity： ≥98%
in stock
$89.00 $62.00
Pack Size： 5mg
Purity： ≥98%
in stock
$342.00 $239.00
Pack Size： 10mg
Purity： ≥98%
in stock
$462.00 $323.00
Pack Size： 25mg
Purity： ≥98%(HPLC)
in stock
$1,100.00 $770.00
Pack Size： 50mg
Purity： ≥98%(HPLC)
in stock
$1,718.00 $1,203.00
Pack Size： 100mg
Purity： ≥98%(HPLC)
in stock
$2,709.00 $1,897.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00GAFK
Chemical Name: (E)-N-(4-((3-Chloro-4-((3-fluorobenzyl)oxy)phenyl)amino)-3-cyano-7-ethoxyquinolin-6-yl)-4-(dimethylamino)but-2-enamide
CAS Number: 848133-17-5
Molecular Formula: C31H29ClFN5O3
Molecular Weight: 574.0451
MDL Number: MFCD26792555
SMILES: CCOc1cc2ncc(c(c2cc1NC(=O)/C=C/CN(C)C)Nc1ccc(c(c1)Cl)OCc1cccc(c1)F)C#N
Properties
Complexity: 915  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 1  
Formal Charge: 0  
Heavy Atom Count: 41  
Hydrogen Bond Acceptor Count: 8  
Hydrogen Bond Donor Count: 2  
Isotope Atom Count: 0  
Rotatable Bond Count: 11  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 6  
Downstream Synthesis Route
214476-09-2    848133-17-5 

[1]JournalofMedicinalChemistry,2005,vol.48,p.1107-1131

Literature fold

Title: Optimization of 6,7-disubstituted-4-(arylamino)quinoline-3-carbonitriles as orally active, irreversible inhibitors of human epidermal growth factor receptor-2 kinase activity.

Journal: Journal of medicinal chemistry20050224

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