654653-93-7,MFCD30185024
Catalog No.:AA00EEF4

654653-93-7 | (αR,βS)-rel-Bedaquiline

Pack Size
Purity
Availability
Price(USD)
Quantity
  
10mg
98%
2 weeks  
$665.00   $466.00
- +
25mg
98%
2 weeks  
$904.00   $633.00
- +
50mg
98%
2 weeks  
$1,239.00   $867.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00EEF4
Chemical Name:
(αR,βS)-rel-Bedaquiline
CAS Number:
654653-93-7
Molecular Formula:
C32H31BrN2O2
Molecular Weight:
555.5047
MDL Number:
MFCD30185024
SMILES:
CN(C)CCC(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:
715  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
2  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
7.2  

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Tags:654653-93-7 Molecular Formula|654653-93-7 MDL|654653-93-7 SMILES|654653-93-7 (αR,βS)-rel-Bedaquiline
Catalog No.: AA00EEF4
654653-93-7,MFCD30185024
654653-93-7 | (αR,βS)-rel-Bedaquiline
Pack Size: 10mg
Purity: 98%
2 weeks
$665.00 $466.00
Pack Size: 25mg
Purity: 98%
2 weeks
$904.00 $633.00
Pack Size: 50mg
Purity: 98%
2 weeks
$1,239.00 $867.00
Quantity
- +
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bulk Quotation Request
Technical Information
Catalog Number: AA00EEF4
Chemical Name: (αR,βS)-rel-Bedaquiline
CAS Number: 654653-93-7
Molecular Formula: C32H31BrN2O2
Molecular Weight: 555.5047
MDL Number: MFCD30185024
SMILES: CN(C)CCC(C1=CC=CC2=CC=CC=C21)(C(C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
Properties
Complexity: 715  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 2  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 37  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 7.2  
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