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78267-15-9,MFCD02106374
Catalog No.:AA00547F

78267-15-9 | Ethyl 2-anilino-4-oxo-4,5-dihydro-3-thiophenecarboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$16.00   $11.00
- +
250mg
95%
in stock  
$32.00   $22.00
- +
1g
95%
in stock  
$96.00   $68.00
- +
5g
95%
in stock  
$265.00   $185.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00547F
Chemical Name:
Ethyl 2-anilino-4-oxo-4,5-dihydro-3-thiophenecarboxylate
CAS Number:
78267-15-9
Molecular Formula:
C13H13NO3S
Molecular Weight:
263.3122
MDL Number:
MFCD02106374
SMILES:
CCOC(=O)C1=C(SCC1=O)Nc1ccccc1
NSC Number:
623029
Properties
Properties
 
Form:
Solid  
Storage:
2-8℃;Light sensitive;Keep in dry area;  

Computed Properties
 
Complexity:
384  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
4  
XLogP3:
2.9  

Downstream Synthesis Route

[1]JournaloftheChemicalSociety.PerkintransactionsI,1981,p.1078-1082

[1]JournaloftheChemicalSociety.PerkintransactionsI,1981,p.1078-1082

[1]JournaloftheChemicalSociety.PerkintransactionsI,1981,p.1078-1082

[1]JournalofHeterocyclicChemistry,2010,vol.47,p.1215-1220

[2]JournaloftheChemicalSociety.PerkintransactionsI,1981,p.1078-1082

[3]BioorganicandMedicinalChemistry,2022,vol.58

[4]BioorganicandMedicinalChemistry,2022,vol.58

[5]JournalofMedicinalChemistry,2013,vol.56,p.7911-7924

[1]JournaloftheChemicalSociety.PerkintransactionsI,1981,p.1078-1082

Literature

Title: Novel selective and potent inhibitors of malaria parasite dihydroorotate dehydrogenase: discovery and optimization of dihydrothiophenone derivatives.

Journal: Journal of medicinal chemistry 20131024

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SDS
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Tags:78267-15-9 Molecular Formula|78267-15-9 MDL|78267-15-9 SMILES|78267-15-9 Ethyl 2-anilino-4-oxo-4,5-dihydro-3-thiophenecarboxylate