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1152311-62-0,MFCD23106064
Catalog No.:AA000GEW

1152311-62-0 | 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl}cyclopropane-1-carboxamide

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
99%
in stock  
$7.00   $5.00
- +
5mg
99%
in stock  
$16.00   $12.00
- +
10mg
99%
in stock  
$26.00   $19.00
- +
25mg
99%
in stock  
$52.00   $37.00
- +
100mg
99%
in stock  
$148.00   $104.00
- +
250mg
99%
in stock  
$307.00   $215.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA000GEW
Chemical Name:
1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl}cyclopropane-1-carboxamide
CAS Number:
1152311-62-0
Molecular Formula:
C26H27F3N2O6
Molecular Weight:
520.4976
MDL Number:
MFCD23106064
SMILES:
OC[C@@H](Cn1c2cc(F)c(cc2cc1C(CO)(C)C)NC(=O)C1(CC1)c1ccc2c(c1)OC(O2)(F)F)O
Properties
Computed Properties
 
Complexity:
858  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
1  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
37  
Hydrogen Bond Acceptor Count:
9  
Hydrogen Bond Donor Count:
4  
Isotope Atom Count:
0  
Rotatable Bond Count:
8  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
2.9  

Literature

Title: Treatment with VX-661 and Ivacaftor in a Phase 2 Study Resulted in Statistically Significant Improvements in Lung Function in People with Cystic Fibrosis Who Have Two Copies of the F508del Mutation. April 18, 2013

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SDS
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Tags:1152311-62-0 Molecular Formula|1152311-62-0 MDL|1152311-62-0 SMILES|1152311-62-0 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl}cyclopropane-1-carboxamide
Catalog No.: AA000GEW
1152311-62-0,MFCD23106064
1152311-62-0 | 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl}cyclopropane-1-carboxamide
Pack Size： 1mg
Purity： 99%
in stock
$7.00 $5.00
Pack Size： 5mg
Purity： 99%
in stock
$16.00 $12.00
Pack Size： 10mg
Purity： 99%
in stock
$26.00 $19.00
Pack Size： 25mg
Purity： 99%
in stock
$52.00 $37.00
Pack Size： 100mg
Purity： 99%
in stock
$148.00 $104.00
Pack Size： 250mg
Purity： 99%
in stock
$307.00 $215.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA000GEW
Chemical Name: 1-(2,2-difluoro-1,3-benzodioxol-5-yl)-N-{1-[(2R)-2,3-dihydroxypropyl]-6-fluoro-2-(1-hydroxy-2-methylpropan-2-yl)indol-5-yl}cyclopropane-1-carboxamide
CAS Number: 1152311-62-0
Molecular Formula: C26H27F3N2O6
Molecular Weight: 520.4976
MDL Number: MFCD23106064
SMILES: OC[C@@H](Cn1c2cc(F)c(cc2cc1C(CO)(C)C)NC(=O)C1(CC1)c1ccc2c(c1)OC(O2)(F)F)O
Properties
Complexity: 858  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 1  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 37  
Hydrogen Bond Acceptor Count: 9  
Hydrogen Bond Donor Count: 4  
Isotope Atom Count: 0  
Rotatable Bond Count: 8  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 2.9  
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