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849409-82-1,MFCD08444827
Catalog No.:AA004V8V

849409-82-1 | 3-(Propane-1-sulfonamido)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
98%
in stock  
$103.00   $73.00
- +
5g
98%
in stock  
$311.00   $218.00
- +
10g
98%
in stock  
$477.00   $334.00
- +
25g
98%
in stock  
$809.00   $567.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA004V8V
Chemical Name:
3-(Propane-1-sulfonamido)benzoic acid
CAS Number:
849409-82-1
Molecular Formula:
C10H13NO4S
Molecular Weight:
243.2795
MDL Number:
MFCD08444827
SMILES:
CCCS(=O)(=O)Nc1cccc(c1)C(=O)O
Properties
Properties
 
Storage:
Room Temperature;  

Computed Properties
 
Complexity:
333  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
5  
XLogP3:
1.3  

Downstream Synthesis Route

[1]CurrentPatentAssignee:PROMEDITECH;LGCHEMCO.,LTD.-WO2005/30709,2005,A1Locationinpatent:Page/Pagecolumn48-49

[2]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-WO2007/2325,2007,A1Locationinpatent:Page/Pagecolumn104

849409-82-1   
3-(propane-1-sulfonylamino)-benzoylchloride 

[1]CurrentPatentAssignee:DAIICHISANKYOCOMPANY,LIMITED-WO2007/2325,2007,A1Locationinpatent:Page/Pagecolumn104

[1]Klövekorn,Philip;Pfaffenrot,Bent;Juchum,Michael;Selig,Roland;Albrecht,Wolfgang;Zender,Lars;Laufer,StefanA.[EuropeanJournalofMedicinalChemistry,2021,vol.210]

[1]Klövekorn,Philip;Pfaffenrot,Bent;Juchum,Michael;Selig,Roland;Albrecht,Wolfgang;Zender,Lars;Laufer,StefanA.[EuropeanJournalofMedicinalChemistry,2021,vol.210]

Literature
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SDS
Tags:849409-82-1 Molecular Formula|849409-82-1 MDL|849409-82-1 SMILES|849409-82-1 3-(Propane-1-sulfonamido)benzoic acid