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1228450-21-2,MFCD27997497
Catalog No.:AA00HGYK

1228450-21-2 | tert-Butyl 4-methyl-5-oxoazepane-1-carboxylate

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
2 weeks  
$247.00   $173.00
- +
2mg
2 weeks  
$268.00   $188.00
- +
3mg
2 weeks  
$299.00   $209.00
- +
5mg
2 weeks  
$320.00   $224.00
- +
10mg
2 weeks  
$349.00   $244.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00HGYK
Chemical Name:
tert-Butyl 4-methyl-5-oxoazepane-1-carboxylate
CAS Number:
1228450-21-2
Molecular Formula:
C12H21NO3
Molecular Weight:
227.3000
MDL Number:
MFCD27997497
SMILES:
CC1CCN(CCC1=O)C(=O)OC(C)(C)C
Properties
Computed Properties
 
Complexity:
281  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
1.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2010/144745,2010,A1Locationinpatent:Page/Pagecolumn47

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2015/197493,2015,A1Locationinpatent:Paragraph0691;0694;0695

[3]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2015/225355,2015,A1Locationinpatent:Paragraph0481;0689

[4]CurrentPatentAssignee:SYROSPHARMACEUTICALSINC-WO2016/197078,2016,A1Locationinpatent:Paragraph481;486-487

[5]CurrentPatentAssignee:MERCK&COINC-WO2020/92667,2020,A1Locationinpatent:Page/Pagecolumn90

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2010/144745,2010,A1Locationinpatent:Page/Pagecolumn47

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2013/21051,2013,A1Locationinpatent:Page/Pagecolumn31

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2013/21051,2013,A1

1228450-21-2   
C13H17N 

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2013/21051,2013,A1

Literature
Quotation Request
Company Name:
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Quantity Required:
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Additional Info:
Submit
SDS
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Tags:1228450-21-2 Molecular Formula|1228450-21-2 MDL|1228450-21-2 SMILES|1228450-21-2 tert-Butyl 4-methyl-5-oxoazepane-1-carboxylate
Catalog No.: AA00HGYK
1228450-21-2,MFCD27997497
1228450-21-2 | tert-Butyl 4-methyl-5-oxoazepane-1-carboxylate
Pack Size： 1mg
Purity：
2 weeks
$247.00 $173.00
Pack Size： 2mg
Purity：
2 weeks
$268.00 $188.00
Pack Size： 3mg
Purity：
2 weeks
$299.00 $209.00
Pack Size： 5mg
Purity：
2 weeks
$320.00 $224.00
Pack Size： 10mg
Purity：
2 weeks
$349.00 $244.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00HGYK
Chemical Name: tert-Butyl 4-methyl-5-oxoazepane-1-carboxylate
CAS Number: 1228450-21-2
Molecular Formula: C12H21NO3
Molecular Weight: 227.3000
MDL Number: MFCD27997497
SMILES: CC1CCN(CCC1=O)C(=O)OC(C)(C)C
Properties
Complexity: 281  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 16  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 1.5  
Downstream Synthesis Route
1228450-19-8    1228450-21-2 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2010/144745,2010,A1Locationinpatent:Page/Pagecolumn47

[2]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2015/197493,2015,A1Locationinpatent:Paragraph0691;0694;0695

[3]CurrentPatentAssignee:JOHNSON&JOHNSONINC-US2015/225355,2015,A1Locationinpatent:Paragraph0481;0689

[4]CurrentPatentAssignee:SYROSPHARMACEUTICALSINC-WO2016/197078,2016,A1Locationinpatent:Paragraph481;486-487

[5]CurrentPatentAssignee:MERCK&COINC-WO2020/92667,2020,A1Locationinpatent:Page/Pagecolumn90

1228450-21-2    1228531-43-8 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-US2010/144745,2010,A1Locationinpatent:Page/Pagecolumn47

188975-88-4    74-88-4    1228450-21-2 

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2013/21051,2013,A1Locationinpatent:Page/Pagecolumn31

24424-99-5    1228450-21-2 

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2013/21051,2013,A1

1228450-21-2   
C13H17N 

[1]CurrentPatentAssignee:JOHNSON&JOHNSONINC-WO2013/21051,2013,A1

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