39241-02-6,MFCD01214249
Catalog No.:AA00C82U

39241-02-6 | N-(3-Bromophenyl)isobutyramide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$112.00   $78.00
- +
1g
95%
in stock  
$261.00 $183.00
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00C82U
Chemical Name:
N-(3-Bromophenyl)isobutyramide
CAS Number:
39241-02-6
Molecular Formula:
C10H12BrNO
Molecular Weight:
242.1124
MDL Number:
MFCD01214249
SMILES:
O=C(C(C)C)Nc1cccc(c1)Br
Properties
Computed Properties
 
Complexity:
182  
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:
1  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.4  

Downstream Synthesis Route

[1]Locationinpatent:schemeortableMoon,Jeongju;Lee,Sunwoo[JournalofOrganometallicChemistry,2009,vol.694,#3,p.473-477]

[1]CurrentPatentAssignee:SHANGPHAMAINNOVATION;SHANGPHARMAINNOVATIONINC;UNIVERSITYOFCALIFORNIA-WO2020/172324,2020,A1Locationinpatent:Paragraph0646;0847-0849

39241-02-6   
N-(3-(1-propyl-1H-pyrazol-4-yl)phenyl)isobutyramide 

[1]CurrentPatentAssignee:SHANGPHAMAINNOVATION;SHANGPHARMAINNOVATIONINC;UNIVERSITYOFCALIFORNIA-WO2020/172324,2020,A1

39241-02-6    73183-34-3   
N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)isobutyramide 

[1]CurrentPatentAssignee:SHANGPHAMAINNOVATION;SHANGPHARMAINNOVATIONINC;UNIVERSITYOFCALIFORNIA-WO2020/172324,2020,A1Locationinpatent:Paragraph0646;0847;0850-0851

39241-02-6   
methyl4-amino-3-cyclopropylbenzoate 
 
methyl3-cyclopropyl-4-3-(2-methylpropanamido)phenylamino}benzoate 

[1]CurrentPatentAssignee:CURIERESINSTITUTE;UNIVERSITYOFMONTPELLIER;ABIVAXSA;MONGOLIANUNIV;INSTITUTCURIE;CENTRENATIONALDELARECHERCHESCIENTIFIQUE-WO2021/13733,2021,A1Locationinpatent:Page/Pagecolumn99;100

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SDS
Tags:39241-02-6 Molecular Formula|39241-02-6 MDL|39241-02-6 SMILES|39241-02-6 N-(3-Bromophenyl)isobutyramide
Catalog No.: AA00C82U
39241-02-6,MFCD01214249
39241-02-6 | N-(3-Bromophenyl)isobutyramide
Pack Size: 250mg
Purity: 95%
in stock
$112.00 $78.00
Pack Size: 1g
Purity: 95%
in stock
$261.00 $183.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00C82U
Chemical Name: N-(3-Bromophenyl)isobutyramide
CAS Number: 39241-02-6
Molecular Formula: C10H12BrNO
Molecular Weight: 242.1124
MDL Number: MFCD01214249
SMILES: O=C(C(C)C)Nc1cccc(c1)Br
Properties
Complexity: 182  
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: 1  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.4  
Downstream Synthesis Route
39241-02-6    4406-41-1 

[1]Locationinpatent:schemeortableMoon,Jeongju;Lee,Sunwoo[JournalofOrganometallicChemistry,2009,vol.694,#3,p.473-477]

79-30-1    591-19-5    39241-02-6 

[1]CurrentPatentAssignee:SHANGPHAMAINNOVATION;SHANGPHARMAINNOVATIONINC;UNIVERSITYOFCALIFORNIA-WO2020/172324,2020,A1Locationinpatent:Paragraph0646;0847-0849

39241-02-6   
N-(3-(1-propyl-1H-pyrazol-4-yl)phenyl)isobutyramide 

[1]CurrentPatentAssignee:SHANGPHAMAINNOVATION;SHANGPHARMAINNOVATIONINC;UNIVERSITYOFCALIFORNIA-WO2020/172324,2020,A1

39241-02-6    73183-34-3   
N-(3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl)isobutyramide 

[1]CurrentPatentAssignee:SHANGPHAMAINNOVATION;SHANGPHARMAINNOVATIONINC;UNIVERSITYOFCALIFORNIA-WO2020/172324,2020,A1Locationinpatent:Paragraph0646;0847;0850-0851

39241-02-6   
methyl4-amino-3-cyclopropylbenzoate 
 
methyl3-cyclopropyl-4-3-(2-methylpropanamido)phenylamino}benzoate 

[1]CurrentPatentAssignee:CURIERESINSTITUTE;UNIVERSITYOFMONTPELLIER;ABIVAXSA;MONGOLIANUNIV;INSTITUTCURIE;CENTRENATIONALDELARECHERCHESCIENTIFIQUE-WO2021/13733,2021,A1Locationinpatent:Page/Pagecolumn99;100

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