Home Bromides 870704-03-3
870704-03-3,MFCD08276798
Catalog No.:AA003CVL

870704-03-3 | 1-(4-Bromophenyl)-3-(4-chlorophenyl)pyrazole-4-propionic acid

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250mg
95%
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$112.00   $78.00
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1g
≥ 97% (HPLC)
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$202.00   $141.00
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5g
≥ 97% (HPLC)
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$700.00   $490.00
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Technical Information
Catalog Number:
AA003CVL
Chemical Name:
1-(4-Bromophenyl)-3-(4-chlorophenyl)pyrazole-4-propionic acid
CAS Number:
870704-03-3
Molecular Formula:
C18H14BrClN2O2
Molecular Weight:
405.6730
MDL Number:
MFCD08276798
SMILES:
OC(=O)CCc1cn(nc1c1ccc(cc1)Cl)c1ccc(cc1)Br
Properties
Computed Properties
 
Complexity:
423  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
24  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
XLogP3:
4.6  

Downstream Synthesis Route
C16H10BrClN2O 
  2033-24-1    870704-03-3 

[1]JagathReddy;SrinivasaRao;Khalilullah;Thirupathaiah;Latha[HeterocyclicCommunications,2006,vol.12,#6,p.423-426]

[1]CurrentPatentAssignee:NEUROSEARCHA/S-WO2009/3921,2009,A1Locationinpatent:Page/Pagecolumn22;17

[1]CurrentPatentAssignee:NEUROSEARCHA/S-WO2009/3921,2009,A1Locationinpatent:Page/Pagecolumn20;17

[1]CurrentPatentAssignee:NEUROSEARCHA/S-WO2009/3921,2009,A1Locationinpatent:Page/Pagecolumn22

[2]Khonde,LutetePeguy;Müller,Rudolf;Boyle,GrantA.;Reddy,Virsinha;Nchinda,AloysiusT.;Eyermann,CharlesJ.;Fienberg,Stephen;Singh,Vinayak;Myrick,Alissa;Abay,Efrem;Njoroge,Mathew;Lawrence,Nina;Su,Qin;Myers,TimothyG.;Boshoff,HelenaI.M.;Barry,CliftonE.;Sirgel,FrederickA.;VanHelden,PaulD.;Massoudi,LisaM.;Robertson,GregoryT.;Lenaerts,AnneJ.;Basarab,GregoryS.;Ghorpade,SandeepR.;Chibale,Kelly[JournalofMedicinalChemistry,2021,vol.64,#17,p.12790-12807]

530-48-3    870704-03-3   
5-(1-(4-bromophenyl)-3-(4-chlorophenyl)-1H-pyrazol-4-yl)-1,1-diphenylpentan-3-one 

[1]MartinezAlvarado,JesusI.;Ertel,AlyssaB.;Stegner,Andrea;Stache,ErinE.;Doyle,AbigailG.[OrganicLetters,2019,vol.21,#24,p.9940-9944]

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SDS
Tags:870704-03-3 Molecular Formula|870704-03-3 MDL|870704-03-3 SMILES|870704-03-3 1-(4-Bromophenyl)-3-(4-chlorophenyl)pyrazole-4-propionic acid |Halogenated_Heterocycles