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648430-85-7,MFCD19482176
Catalog No.:AA00EL0U

648430-85-7 | Ethyl 3-benzyl-1H-1,2,4-triazole-5-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$58.00   $41.00
- +
1g
95%
in stock  
$231.00   $162.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EL0U
Chemical Name:
Ethyl 3-benzyl-1H-1,2,4-triazole-5-carboxylate
CAS Number:
648430-85-7
Molecular Formula:
C12H13N3O2
Molecular Weight:
231.2505
MDL Number:
MFCD19482176
SMILES:
CCOC(=O)c1nnc([nH]1)Cc1ccccc1
Properties
Computed Properties
 
Complexity:
254  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.5  

Downstream Synthesis Route
C12H14N2O3 
  648430-85-7 

[1]CurrentPatentAssignee:PFIZERINC-WO2008/17932,2008,A2Locationinpatent:Page/Pagecolumn52-53

40741-46-6    648430-85-7   
ethyl1-5-(aminosulfonyl)pyridin-2-yl-5-benzyl-1H-1,2,4-triazole-3-carboxylate 

[1]Patent:WO2008/17932,2008,A2.Locationinpatent:Page/Pagecolumn53

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2014/125444,2014,A1

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2018/7973,2018,A2

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2018/154520,2018,A1

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2020/44206,2020,A1

[1]CurrentPatentAssignee:THEUNIVERSITYOFTEXASSYSTEM-WO2021/46515,2021,A1

[2]CurrentPatentAssignee:SECONDMILITARYMEDICALUNIVERSITY-CN112778291,2021,A

[3]Khomenko,DmytroM.;Doroshchuk,RomanO.;Ohorodnik,YuliaM.;Ivanova,HannaV.;Zakharchenko,BorysV.;Raspertova,IlonaV.;Vaschenko,OleksandrV.;Dobrydnev,AlexeyV.;Grygorenko,OleksandrO.;Lampeka,RostyslavD.[ChemistryofHeterocyclicCompounds,2022,vol.58,#2-3,p.116-128][Khim.Geterotsikl.Soedin.,2022,vol.58,#2-3,p.116-128]

[4]Fu,Peng;Hao,Yanan;Li,Jiao;Qu,Zhuo;Shao,Hongming;Shi,Ying;Yu,Jianqiang;Zhang,Wannian;Zhuang,Chunlin[EuropeanJournalofMedicinalChemistry,2022,vol.236]

Literature
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SDS
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Tags:648430-85-7 Molecular Formula|648430-85-7 MDL|648430-85-7 SMILES|648430-85-7 Ethyl 3-benzyl-1H-1,2,4-triazole-5-carboxylate
Catalog No.: AA00EL0U
648430-85-7,MFCD19482176
648430-85-7 | Ethyl 3-benzyl-1H-1,2,4-triazole-5-carboxylate
Pack Size： 250mg
Purity： 95%
in stock
$58.00 $41.00
Pack Size： 1g
Purity： 95%
in stock
$231.00 $162.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00EL0U
Chemical Name: Ethyl 3-benzyl-1H-1,2,4-triazole-5-carboxylate
CAS Number: 648430-85-7
Molecular Formula: C12H13N3O2
Molecular Weight: 231.2505
MDL Number: MFCD19482176
SMILES: CCOC(=O)c1nnc([nH]1)Cc1ccccc1
Properties
Complexity: 254  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.5  
Downstream Synthesis Route
C12H14N2O3 
  648430-85-7 

[1]CurrentPatentAssignee:PFIZERINC-WO2008/17932,2008,A2Locationinpatent:Page/Pagecolumn52-53

40741-46-6    648430-85-7   
ethyl1-5-(aminosulfonyl)pyridin-2-yl-5-benzyl-1H-1,2,4-triazole-3-carboxylate 

[1]Patent:WO2008/17932,2008,A2.Locationinpatent:Page/Pagecolumn53

648430-85-7    1622848-92-3 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2014/125444,2014,A1

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2018/7973,2018,A2

648430-85-7    1622849-43-7 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2018/154520,2018,A1

[2]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2020/44206,2020,A1

937-39-3    648430-85-7 

[1]CurrentPatentAssignee:THEUNIVERSITYOFTEXASSYSTEM-WO2021/46515,2021,A1

[2]CurrentPatentAssignee:SECONDMILITARYMEDICALUNIVERSITY-CN112778291,2021,A

[3]Khomenko,DmytroM.;Doroshchuk,RomanO.;Ohorodnik,YuliaM.;Ivanova,HannaV.;Zakharchenko,BorysV.;Raspertova,IlonaV.;Vaschenko,OleksandrV.;Dobrydnev,AlexeyV.;Grygorenko,OleksandrO.;Lampeka,RostyslavD.[ChemistryofHeterocyclicCompounds,2022,vol.58,#2-3,p.116-128][Khim.Geterotsikl.Soedin.,2022,vol.58,#2-3,p.116-128]

[4]Fu,Peng;Hao,Yanan;Li,Jiao;Qu,Zhuo;Shao,Hongming;Shi,Ying;Yu,Jianqiang;Zhang,Wannian;Zhuang,Chunlin[EuropeanJournalofMedicinalChemistry,2022,vol.236]

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