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Home Other Building Blocks 55837-18-8
55837-18-8,MFCD00866068
Catalog No.:AA00DFEA

55837-18-8 | Butibufen

Pack Size
Purity
Availability
Price(USD)
Quantity
  
5mg
95%
in stock  
$432.00   $303.00
- +
10mg
95%
in stock  
$654.00   $458.00
- +
25mg
95%
in stock  
$1,190.00   $833.00
- +
50mg
95%
in stock  
$1,843.00   $1,290.00
- +
100mg
95%
in stock  
$2,915.00   $2,040.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00DFEA
Chemical Name:
Butibufen
CAS Number:
55837-18-8
Molecular Formula:
C14H20O2
Molecular Weight:
220.3074
MDL Number:
MFCD00866068
SMILES:
CCC(c1ccc(cc1)CC(C)C)C(=O)O
Properties
Computed Properties
 
Complexity:
215  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
XLogP3:
3.9  

Downstream Synthesis Route

[1]Summers;Kim;Mazdiyasni;Holms;Ratajczyk;Stewart;Dyer;Carter[JournalofMedicinalChemistry,1990,vol.33,#3,p.992-998]

[1]Kerdesky,FrancisA.J.;Brooks,ClintD.W.;Hulkower,KerenI.;Bouska,JenniferB.;Bell,RandyL.[BioorganicandMedicinalChemistry,1997,vol.5,#2,p.393-396]

[2]CurrentPatentAssignee:HOMMEL-US4381313,1983,A

[1]Kerdesky,FrancisA.J.;Brooks,ClintD.W.;Hulkower,KerenI.;Bouska,JenniferB.;Bell,RandyL.[BioorganicandMedicinalChemistry,1997,vol.5,#2,p.393-396]

55837-18-8   
CASUnavailable 

[1]Kerdesky,FrancisA.J.;Brooks,ClintD.W.;Hulkower,KerenI.;Bouska,JenniferB.;Bell,RandyL.[BioorganicandMedicinalChemistry,1997,vol.5,#2,p.393-396]

Literature

Title: Quantitative structure-activity relationship and complex network approach to monoamine oxidase A and B inhibitors.

Journal: Journal of medicinal chemistry 20081113

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SDS
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