68041-57-6,MFCD05670582
Catalog No.:AA00IZUJ

68041-57-6 | 1-(2-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1mg
>90%
1 week  
$299.00   $209.00
- +
5mg
>90%
1 week  
$319.00   $223.00
- +
10mg
>90%
1 week  
$358.00   $250.00
- +
500mg
>90%
1 week  
$1,087.00   $761.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00IZUJ
Chemical Name:
1-(2-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one
CAS Number:
68041-57-6
Molecular Formula:
C15H18ClN3O
Molecular Weight:
291.7759
MDL Number:
MFCD05670582
SMILES:
O=C(C(C)(C)C)C(n1cncn1)Cc1ccccc1Cl
Properties
Computed Properties
 
Complexity:
343  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
20  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
1  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.9  

Literature

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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Tags:68041-57-6 Molecular Formula|68041-57-6 MDL|68041-57-6 SMILES|68041-57-6 1-(2-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one
Catalog No.: AA00IZUJ
68041-57-6,MFCD05670582
68041-57-6 | 1-(2-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one
Pack Size: 1mg
Purity: >90%
1 week
$299.00 $209.00
Pack Size: 5mg
Purity: >90%
1 week
$319.00 $223.00
Pack Size: 10mg
Purity: >90%
1 week
$358.00 $250.00
Pack Size: 500mg
Purity: >90%
1 week
$1,087.00 $761.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA00IZUJ
Chemical Name: 1-(2-chlorophenyl)-4,4-dimethyl-2-(1H-1,2,4-triazol-1-yl)pentan-3-one
CAS Number: 68041-57-6
Molecular Formula: C15H18ClN3O
Molecular Weight: 291.7759
MDL Number: MFCD05670582
SMILES: O=C(C(C)(C)C)C(n1cncn1)Cc1ccccc1Cl
Properties
Complexity: 343  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 20  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 1  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.9  
Literature fold

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology20060501

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