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861709-47-9
Catalog No.:AA01FNY0

861709-47-9 | N-Desmethyl bedaquiline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
2 weeks  
$735.00   $515.00
- +
10mg
≥95%
2 weeks  
$1,800.00   $1,260.00
- +
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Technical Information
Catalog Number:
AA01FNY0
Chemical Name:
N-Desmethyl bedaquiline
CAS Number:
861709-47-9
Molecular Formula:
C31H29BrN2O2
Molecular Weight:
541.4782
SMILES:
CNCCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
Properties
Computed Properties
 
Complexity:
688  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Heavy Atom Count:
36  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
2  
Rotatable Bond Count:
8  
XLogP3:
6.7  

Literature
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SDS
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Tags:861709-47-9 Molecular Formula|861709-47-9 MDL|861709-47-9 SMILES|861709-47-9 N-Desmethyl bedaquiline