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451485-62-4,MFCD02186426
Catalog No.:AA00DEJN

451485-62-4 | 4-(1,1-Dioxidothiomorpholino)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>95%
1 week  
$299.00   $209.00
- +
5mg
>95%
1 week  
$319.00   $223.00
- +
10mg
>95%
1 week  
$358.00   $250.00
- +
500mg
>95%
1 week  
$453.00   $317.00
- +
1g
>95%
1 week  
$589.00   $412.00
- +
5g
>95%
1 week  
$1,899.00   $1,329.00
- +
10g
>95%
1 week  
$3,206.00   $2,244.00
- +
25g
>95%
1 week  
$6,945.00   $4,862.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00DEJN
Chemical Name:
4-(1,1-Dioxidothiomorpholino)benzoic acid
CAS Number:
451485-62-4
Molecular Formula:
C11H13NO4S
Molecular Weight:
255.2902
MDL Number:
MFCD02186426
SMILES:
OC(=O)c1ccc(cc1)N1CCS(=O)(=O)CC1
Properties
Properties
 
Form:
Solid  
MP:
308-311℃  

Computed Properties
 
Complexity:
365  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
2  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.7  

Downstream Synthesis Route
1-cyclobutyl1,4diazepanedihydrochloride 
  451485-62-4   
1-cyclobutyl-4-4-(1,1-dioxido-4-thiomorpholinyl)phenylcarbonyl}hexahydro-1H-1,4-diazepine 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2005/40144,2005,A1Locationinpatent:Page/Pagecolumn16-17

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2010/106081,2010,A1Locationinpatent:Page/Pagecolumn27

methyl4-(1,1-dioxidothiomorpholino)benzoate 
  451485-62-4 

[1]CurrentPatentAssignee:HETERODRUGSLIMITED;DFHTHERAPEUTICSINC-WO2016/178092,2016,A2Locationinpatent:Page/Pagecolumn70

[1]CurrentPatentAssignee:HETERODRUGSLIMITED;DFHTHERAPEUTICSINC-WO2016/178092,2016,A2

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

Quotation Request
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SDS
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Tags:451485-62-4 Molecular Formula|451485-62-4 MDL|451485-62-4 SMILES|451485-62-4 4-(1,1-Dioxidothiomorpholino)benzoic acid
Catalog No.: AA00DEJN
451485-62-4,MFCD02186426
451485-62-4 | 4-(1,1-Dioxidothiomorpholino)benzoic acid
Pack Size： 1mg
Purity： >95%
1 week
$299.00 $209.00
Pack Size： 5mg
Purity： >95%
1 week
$319.00 $223.00
Pack Size： 10mg
Purity： >95%
1 week
$358.00 $250.00
Pack Size： 500mg
Purity： >95%
1 week
$453.00 $317.00
Pack Size： 1g
Purity： >95%
1 week
$589.00 $412.00
Pack Size： 5g
Purity： >95%
1 week
$1,899.00 $1,329.00
Pack Size： 10g
Purity： >95%
1 week
$3,206.00 $2,244.00
Pack Size： 25g
Purity： >95%
1 week
$6,945.00 $4,862.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00DEJN
Chemical Name: 4-(1,1-Dioxidothiomorpholino)benzoic acid
CAS Number: 451485-62-4
Molecular Formula: C11H13NO4S
Molecular Weight: 255.2902
MDL Number: MFCD02186426
SMILES: OC(=O)c1ccc(cc1)N1CCS(=O)(=O)CC1
Properties
Form: Solid  
MP: 308-311℃  
Complexity: 365  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 17  
Hydrogen Bond Acceptor Count: 5  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 2  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.7  
Downstream Synthesis Route
1-cyclobutyl1,4diazepanedihydrochloride 
  451485-62-4   
1-cyclobutyl-4-4-(1,1-dioxido-4-thiomorpholinyl)phenylcarbonyl}hexahydro-1H-1,4-diazepine 

[1]CurrentPatentAssignee:GLAXOSMITHKLINEPLC-WO2005/40144,2005,A1Locationinpatent:Page/Pagecolumn16-17

451485-62-4    1246389-64-9    1246385-85-2 

[1]CurrentPatentAssignee:ROCHEHOLDINGAG-WO2010/106081,2010,A1Locationinpatent:Page/Pagecolumn27

methyl4-(1,1-dioxidothiomorpholino)benzoate 
  451485-62-4 

[1]CurrentPatentAssignee:HETERODRUGSLIMITED;DFHTHERAPEUTICSINC-WO2016/178092,2016,A2Locationinpatent:Page/Pagecolumn70

619-42-1    451485-62-4 

[1]CurrentPatentAssignee:HETERODRUGSLIMITED;DFHTHERAPEUTICSINC-WO2016/178092,2016,A2

Literature fold

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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1423037-14-2
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