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Home Other Building Blocks 118939-09-6
118939-09-6,MFCD12828709
Catalog No.:AA003HK6

118939-09-6 | 2-Methyl-4-(methylsulfonyl)benzoic acid

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
95%
in stock  
$100.00   $70.00
- +
1g
97%
in stock  
$162.00   $113.00
- +
5g
97%
in stock  
$427.00   $299.00
- +
10g
97%
in stock  
$743.00   $520.00
- +
25g
97%
in stock  
$1,590.00   $1,113.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA003HK6
Chemical Name:
2-Methyl-4-(methylsulfonyl)benzoic acid
CAS Number:
118939-09-6
Molecular Formula:
C9H10O4S
Molecular Weight:
214.2383
MDL Number:
MFCD12828709
SMILES:
OC(=O)c1ccc(cc1C)S(=O)(=O)C
Properties
Properties
 
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
314  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
2  
XLogP3:
1.1  

Downstream Synthesis Route
118939-09-6   
C16H15N3O 
  1251154-30-9 

[1]Takeuchi,CraigS.;Kim,ByungGyu;Blazey,CharlesM.;Ma,Sunghoon;Johnson,HenryW.B.;Anand,NeelK.;Arcalas,Arlyn;Baik,TaeGon;Buhr,ChrisA.;Cannoy,Jonah;Epshteyn,Sergey;Joshi,Anagha;Lara,Katherine;Lee,MatthewS.;Wang,Longcheng;Leahy,JamesW.;Nuss,JohnM.;Aay,Naing;Aoyama,Ron;Foster,Paul;Lee,Jae;Lehoux,Isabelle;Munagala,Narsimha;Plonowski,Arthur;Rajan,Sharmila;Woolfrey,John;Yamaguchi,Kyoko;Lamb,Peter;Miller,Nicole[JournalofMedicinalChemistry,2013,vol.56,#6,p.2218-2234]

118939-09-6   
(1R)-5-chloroindan-1-amine 
 
C18H18ClNO3S 

[1]CurrentPatentAssignee:PRAXISPRECISIONMEDICINESINC;PRAKISSPRECDRUG-WO2020/227097,2020,A1Locationinpatent:Paragraph000338

Literature
Quotation Request
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Additional Info:
SDS
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Tags:118939-09-6 Molecular Formula|118939-09-6 MDL|118939-09-6 SMILES|118939-09-6 2-Methyl-4-(methylsulfonyl)benzoic acid