Home Carboxes 1998-63-6
1998-63-6,MFCD08436653
Catalog No.:AA00C3CU

1998-63-6 | 6-Chloro-2-(trifluoromethyl)-9H-purine

Pack Size
Purity
Availability
Price(USD)
Quantity
  
250mg
97%
1 week  
$126.00   $89.00
- +
1g
97%
1 week  
$400.00   $280.00
- +
5g
97%
1 week  
$1,488.00   $1,042.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA00C3CU
Chemical Name:
6-Chloro-2-(trifluoromethyl)-9H-purine
CAS Number:
1998-63-6
Molecular Formula:
C6H2ClF3N4
Molecular Weight:
222.5551
MDL Number:
MFCD08436653
SMILES:
Clc1nc([nH]c2c1ncn2)C(F)(F)F
NSC Number:
46027
Properties
Computed Properties
 
Complexity:
224  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
XLogP3:
2  

Downstream Synthesis Route
1998-63-6    103347-14-4   
6-Chloro-7-(4-chloro-3-methoxy-benzyl)-2-trifluoromethyl-7H-purine 
  122488-86-2 

[1]JournalofMedicinalChemistry,1989,vol.32,p.1757-1763

1998-63-6    122488-92-0   
6-Chloro-7-(3-methoxy-4-methyl-benzyl)-2-trifluoromethyl-7H-purine 
  122488-93-1 

[1]Kelley;Linn;Selway[JournalofMedicinalChemistry,1989,vol.32,#8,p.1757-1763]

1998-63-6    72729-52-3    122488-58-8   
6-Chloro-7-(4-isopropoxy-benzyl)-2-trifluoromethyl-7H-purine 

[1]Kelley;Linn;Selway[JournalofMedicinalChemistry,1989,vol.32,#8,p.1757-1763]

1998-63-6    52311-59-8    122488-79-3   
6-Chloro-7-(4-chloro-2-nitro-benzyl)-2-trifluoromethyl-7H-purine 

[1]JournalofMedicinalChemistry,1989,vol.32,p.1757-1763

[1]Patent:WO2004/14911,2004,A1.Locationinpatent:Page43

Literature
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SDS
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Tags:1998-63-6 Molecular Formula|1998-63-6 MDL|1998-63-6 SMILES|1998-63-6 6-Chloro-2-(trifluoromethyl)-9H-purine