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35351-21-4,MFCD06357123
Catalog No.:AA00C93K

35351-21-4 | 5-Bromo-1-benzofuran-2-carboxamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$99.00   $69.00
- +
5g
98%
in stock  
$321.00   $225.00
- +
10g
98%
in stock  
$583.00   $408.00
- +
25g
98%
in stock  
$1,154.00 $808.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C93K
Chemical Name:
5-Bromo-1-benzofuran-2-carboxamide
CAS Number:
35351-21-4
Molecular Formula:
C9H6BrNO2
Molecular Weight:
240.0534
MDL Number:
MFCD06357123
SMILES:
Brc1ccc2c(c1)cc(o2)C(=O)N
Properties
Computed Properties
 
Complexity:
222  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
1  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.2  

Downstream Synthesis Route

[1]Locationinpatent:bodytextLee,Jaekyoo;Khanapure,SubhashP.;Kim,Hwa-Ok;Rajur,RajS.B.;Li,Bing;Williams,JohnD.;Pai,Ramdas;Peet,NortonP.[SyntheticCommunications,2010,vol.40,#22,p.3390-3396]

[2]DelPoeta,Maurizio;Schell,WileyA.;Dykstra,ChristineC.;Jones,Susan;Tidwell,RichardR.;Czarny,Agnieszka;Bajic,Miroslav;Bajic,Marina;Kumar,Arvind;Boykin,David;Perfect,JohnR.[AntimicrobialAgentsandChemotherapy,1998,vol.42,#10,p.2495-2502]

[3]Brocos-Mosquera,Iria;Callado,LuisF.;Daelemans,Dirk;DeJonghe,Steven;Djikic,Teodora;Escolano,Carmen;Loza,M.Isabel;Molins,Elies;Nikolic,Katarina;Radan,Milica;Vasilopoulou,Foteini;Bagán,Andrea;Brea,José;García-Fuster,M.Julia;García-Sevilla,JesúsA.;Griñán-Ferré,Christian;Hernández-Hernández,Elena;Martínez,AntónL.;Pérez,Belén;Pallàs,Mercè;Rodriguez-Arévalo,Sergio[EuropeanJournalofMedicinalChemistry,2021,vol.222]

110-85-0   
t-OBu 
  35351-21-4   
1-(N,N-dimethylamino)-1'-(dicyclohexylphosphino)biphenyl 
  7440-44-0    183288-46-2 

[1]Patent:US2003/125558,2003,A1

P(t-Bu)3 
 
t-OBu 
  35351-21-4    57260-71-6    183288-44-0    183288-46-2 

[1]Patent:US2003/125558,2003,A1

P(t-Bu)3 
 
t-OBu 
  2759-28-6    35351-21-4    343306-47-8 

[1]CurrentPatentAssignee:MERCKKGAA-US2003/125558,2003,A1

Literature

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters 20101101

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SDS
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Tags:35351-21-4 Molecular Formula|35351-21-4 MDL|35351-21-4 SMILES|35351-21-4 5-Bromo-1-benzofuran-2-carboxamide
Catalog No.: AA00C93K
35351-21-4,MFCD06357123
35351-21-4 | 5-Bromo-1-benzofuran-2-carboxamide
Pack Size： 1g
Purity： 98%
in stock
$99.00 $69.00
Pack Size： 5g
Purity： 98%
in stock
$321.00 $225.00
Pack Size： 10g
Purity： 98%
in stock
$583.00 $408.00
Pack Size： 25g
Purity： 98%
in stock
$1,154.00 $808.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00C93K
Chemical Name: 5-Bromo-1-benzofuran-2-carboxamide
CAS Number: 35351-21-4
Molecular Formula: C9H6BrNO2
Molecular Weight: 240.0534
MDL Number: MFCD06357123
SMILES: Brc1ccc2c(c1)cc(o2)C(=O)N
Properties
Complexity: 222  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 13  
Hydrogen Bond Acceptor Count: 2  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 1  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.2  
Downstream Synthesis Route
35351-21-4    35351-45-2 

[1]Locationinpatent:bodytextLee,Jaekyoo;Khanapure,SubhashP.;Kim,Hwa-Ok;Rajur,RajS.B.;Li,Bing;Williams,JohnD.;Pai,Ramdas;Peet,NortonP.[SyntheticCommunications,2010,vol.40,#22,p.3390-3396]

[2]DelPoeta,Maurizio;Schell,WileyA.;Dykstra,ChristineC.;Jones,Susan;Tidwell,RichardR.;Czarny,Agnieszka;Bajic,Miroslav;Bajic,Marina;Kumar,Arvind;Boykin,David;Perfect,JohnR.[AntimicrobialAgentsandChemotherapy,1998,vol.42,#10,p.2495-2502]

[3]Brocos-Mosquera,Iria;Callado,LuisF.;Daelemans,Dirk;DeJonghe,Steven;Djikic,Teodora;Escolano,Carmen;Loza,M.Isabel;Molins,Elies;Nikolic,Katarina;Radan,Milica;Vasilopoulou,Foteini;Bagán,Andrea;Brea,José;García-Fuster,M.Julia;García-Sevilla,JesúsA.;Griñán-Ferré,Christian;Hernández-Hernández,Elena;Martínez,AntónL.;Pérez,Belén;Pallàs,Mercè;Rodriguez-Arévalo,Sergio[EuropeanJournalofMedicinalChemistry,2021,vol.222]

110-85-0   
t-OBu 
  35351-21-4   
1-(N,N-dimethylamino)-1'-(dicyclohexylphosphino)biphenyl 
  7440-44-0    183288-46-2 

[1]Patent:US2003/125558,2003,A1

P(t-Bu)3 
 
t-OBu 
  35351-21-4    57260-71-6    183288-44-0    183288-46-2 

[1]Patent:US2003/125558,2003,A1

P(t-Bu)3 
 
t-OBu 
  2759-28-6    35351-21-4    343306-47-8 

[1]CurrentPatentAssignee:MERCKKGAA-US2003/125558,2003,A1

Literature fold

Title: Synthesis and SAR studies of 1,4-benzoxazine MenB inhibitors: novel antibacterial agents against Mycobacterium tuberculosis.

Journal: Bioorganic & medicinal chemistry letters20101101

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