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Home Other Building Blocks 769132-76-5
769132-76-5,MFCD08060967
Catalog No.:AA003K2I

769132-76-5 | 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95
in stock  
$158.00   $110.00
- +
1g
95%
in stock  
$394.00   $276.00
- +
5g
95%
in stock  
$992.00   $695.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003K2I
Chemical Name:
4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid
CAS Number:
769132-76-5
Molecular Formula:
C11H10N2O3
Molecular Weight:
218.2087
MDL Number:
MFCD08060967
SMILES:
CCc1onc(n1)c1ccc(cc1)C(=O)O
Properties
Properties
 
BP:
411°C at 760 mmHg  
Form:
Solid  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
252  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
3  
XLogP3:
2.2  

Downstream Synthesis Route
769132-76-5   
(S)-N6-(2-((1R,4S)-4-aminocyclohexyl)ethyl)-N6-propyl-4,5,6,7-tetrahydrobenzodthiazole-2,6-diaminetri(trifluoroacetate) 
 
trans-N-(4-2-(((S)-2-amino-4,5,6,7-tetrahydrobenzodthiazol-6-yl)(propyl)amino)ethylcyclohexyl)-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide 

[1]Locationinpatent:schemeortableChen,Jianyong;Levant,Beth;Wang,Shaomeng[BioorganicandMedicinalChemistryLetters,2012,vol.22,#17,p.5612-5617]

[1]Krasouskaya;Danilova;Baikov;Kolobov;Kofanov[RussianChemicalBulletin,2015,vol.64,#1,p.142-145][Izv.Akad.Nauk,Ser.Khim.,2015,#1,p.142-145,4]

769132-76-5   
C25H39N3O10P(1-)*Na(1+) 
 
C36H47N5O12P(1-) 

[1]Yuhas,ShelbyC.;Laverty,DanielJ.;Lee,Huijin;Majumdar,Ananya;Greenberg,MarcM.[JournaloftheAmericanChemicalSociety,2021,vol.143,#21,p.8099-8107]

Literature
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SDS
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Tags:769132-76-5 Molecular Formula|769132-76-5 MDL|769132-76-5 SMILES|769132-76-5 4-(5-Ethyl-1,2,4-oxadiazol-3-yl)benzoic acid