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16588-17-3,MFCD00115803
Catalog No.:AA001WB2

16588-17-3 | Ethyl 2-chloro-5-nitrobenzoate

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Purity
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Price(USD)
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1g
98%
in stock  
$79.00   $55.00
- +
5g
98%
in stock  
$201.00   $141.00
- +
10g
98%
in stock  
$344.00   $241.00
- +
25g
98%
in stock  
$677.00   $474.00
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100g
98%
in stock  
$2,007.00   $1,405.00
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  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA001WB2
Chemical Name:
Ethyl 2-chloro-5-nitrobenzoate
CAS Number:
16588-17-3
Molecular Formula:
C9H8ClNO4
Molecular Weight:
229.6171
MDL Number:
MFCD00115803
SMILES:
[O-][N+](=O)c1cc(C(=O)OCC)c(cc1)Cl
Properties
Computed Properties
 
Complexity:
253  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
15  
Hydrogen Bond Acceptor Count:
4  
Rotatable Bond Count:
3  
XLogP3:
2.7  

Downstream Synthesis Route

[1]LeFevre;Turner[JournaloftheChemicalSociety,1927,p.1117]

[2]Huebner[ZeitschriftfurChemie,1866,p.615]

[3]Locationinpatent:experimentalpartKumar,Pradeep;Narasimhan,Balasubramanian;Yogeeswari,Perumal;Sriram,Dharmarajan[EuropeanJournalofMedicinalChemistry,2010,vol.45,#12,p.6085-6089]

[4]CurrentPatentAssignee:VIROSTATICS-US2014/57911,2014,A1Locationinpatent:Paragraph0291;0292

[5]Khanam,Rashmin;Ahmad,Kamal;Hejazi,IramI.;Siddique,IbrarA.;Kumar,Vikash;Bhat,AbdulRoouf;Azam,Amir;Athar,Fareeda[CancerChemotherapyandPharmacology,2017,vol.80,#5,p.1027-1042]

[6]Eissa,IbrahimH.;El-Helby,Abdel-GhanyA.;Mahdy,HazemA.;Khalifa,MohamedM.;Elnagar,HamdyA.;Mehany,AhmedB.M.;Metwaly,AhmedM.;Elhendawy,MostafaA.;Radwan,MohamedM.;ElSohly,MahmoudA.;El-Adl,Khaled[BioorganicChemistry,2020,vol.105]El-Adl,Khaled;El-Helby,Abdel-GhanyA.;Ayyad,RezkR.;Mahdy,HazemA.;Khalifa,MohamedM.;Elnagar,HamdyA.;Mehany,AhmedB.M.;Metwaly,AhmedM.;Elhendawy,MostafaA.;Radwan,MohamedM.;ElSohly,MahmoudA.;Eissa,IbrahimH.[BioorganicandMedicinalChemistry,2021,vol.29]

[7]Yousef,RedaG.;Sakr,HelmyM.;Eissa,IbrahimH.;Mehany,Ahmed.B.M.;Metwaly,AhmedM.;Elhendawy,MostafaA.;Radwan,MohamedM.;ElSohly,MahmoudA.;Abulkhair,HamadaS.;El-Adl,Khaled[NewJournalofChemistry,2021,vol.45,#36,p.16949-16964]

[1]Archer;Suter[JournaloftheAmericanChemicalSociety,1952,vol.74,p.4296,4301]

[2]Archer,Sydney;Rej,Rabindra[JournalofMedicinalChemistry,1982,vol.25,#3,p.328-331]

[1]Bellamy;Ou[TetrahedronLetters,1984,vol.25,#8,p.839-842]

[2]CurrentPatentAssignee:VIROSTATICS-US2014/57911,2014,A1Locationinpatent:Paragraph0293;0294

74115-12-1    16588-17-3   
ethyl5-nitro-2-(3-chloro-5-pyridyloxy)benzoate 

[1]BioorganicandMedicinalChemistry,2013,vol.21,p.979-992

Literature

Title: A three-dimensional in silico pharmacophore model for inhibition of Plasmodium falciparum cyclin-dependent kinases and discovery of different classes of novel Pfmrk specific inhibitors.

Journal: Journal of medicinal chemistry 20041021

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SDS
Tags:16588-17-3 Molecular Formula|16588-17-3 MDL|16588-17-3 SMILES|16588-17-3 Ethyl 2-chloro-5-nitrobenzoate