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1413431-07-8
Catalog No.:AA01CBXM

1413431-07-8 | Ivacaftor (4-tertbutyl-d9)

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
99%
1 week  
$598.00   $419.00
- +
5mg
99%
1 week  
$1,670.00   $1,169.00
- +
10mg
99%
1 week  
$2,670.00   $1,869.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA01CBXM
Chemical Name:
Ivacaftor (4-tertbutyl-d9)
CAS Number:
1413431-07-8
Molecular Formula:
C24H19D9N2O3
Molecular Weight:
401.5462
SMILES:
O=C(c1c[nH]c2c(c1=O)cccc2)Nc1cc(O)c(cc1C(C)(C)C)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Properties
Computed Properties
 
Complexity:
671  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
29  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
3  
Isotope Atom Count:
9  
Rotatable Bond Count:
4  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
5.6  

Literature

Title: Scott L Harbeson, et al. Altering Metabolic Profiles of Drugs by Precision Deuteration 2: Discovery of a Deuterated Analog of Ivacaftor with Differentiated Pharmacokinetics for Clinical Development. J Pharmacol Exp Ther. 2017 Aug;362(2):359-367.

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SDS
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Tags:1413431-07-8 Molecular Formula|1413431-07-8 MDL|1413431-07-8 SMILES|1413431-07-8 Ivacaftor (4-tertbutyl-d9)
Catalog No.: AA01CBXM
1413431-07-8
1413431-07-8 | Ivacaftor (4-tertbutyl-d9)
Pack Size： 1mg
Purity： 99%
1 week
$598.00 $419.00
Pack Size： 5mg
Purity： 99%
1 week
$1,670.00 $1,169.00
Pack Size： 10mg
Purity： 99%
1 week
$2,670.00 $1,869.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA01CBXM
Chemical Name: Ivacaftor (4-tertbutyl-d9)
CAS Number: 1413431-07-8
Molecular Formula: C24H19D9N2O3
Molecular Weight: 401.5462
SMILES: O=C(c1c[nH]c2c(c1=O)cccc2)Nc1cc(O)c(cc1C(C)(C)C)C(C([2H])([2H])[2H])(C([2H])([2H])[2H])C([2H])([2H])[2H]
Properties
Complexity: 671  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 29  
Hydrogen Bond Acceptor Count: 4  
Hydrogen Bond Donor Count: 3  
Isotope Atom Count: 9  
Rotatable Bond Count: 4  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 5.6  
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