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55219-65-3,MFCD00055507
Catalog No.:AA00ILLE

55219-65-3 | 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
≥95% (mixture of isomers)
in stock  
$36.00   $25.00
- +
250mg
≥95% (mixture of isomers)
in stock  
$49.00   $34.00
- +
500mg
≥95% (mixture of isomers)
in stock  
$90.00   $63.00
- +
  • Technical Information
  • Properties
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA00ILLE
Chemical Name:
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CAS Number:
55219-65-3
Molecular Formula:
C14H18ClN3O2
Molecular Weight:
295.7646
MDL Number:
MFCD00055507
SMILES:
OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
Properties
Properties
 
Form:
Solid  
MP:
112-117°  
Refractive Index:
1.5270 (estimate)  
Storage:
2-8℃;  

Computed Properties
 
Complexity:
303  
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:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0  
Rotatable Bond Count:
5  
Undefined Atom Stereocenter Count:
2  
Undefined Bond Stereocenter Count:
0  
XLogP3:
3.1  

Literature

Title: Amrita Datta, et al. High-throughput screening identified selective inhibitors of exosome biogenesis and secretion: A drug repurposing strategy for advanced cancer. Sci Rep. 2018 May 25;8(1):8161.

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SDS
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Tags:55219-65-3 Molecular Formula|55219-65-3 MDL|55219-65-3 SMILES|55219-65-3 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Catalog No.: AA00ILLE
55219-65-3,MFCD00055507
55219-65-3 | 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Pack Size： 100mg
Purity： ≥95% (mixture of isomers)
in stock
$36.00 $25.00
Pack Size： 250mg
Purity： ≥95% (mixture of isomers)
in stock
$49.00 $34.00
Pack Size： 500mg
Purity： ≥95% (mixture of isomers)
in stock
$90.00 $63.00
Quantity
- +
Add to Card
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bulk Quotation Request
Technical Information
Catalog Number: AA00ILLE
Chemical Name: 1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
CAS Number: 55219-65-3
Molecular Formula: C14H18ClN3O2
Molecular Weight: 295.7646
MDL Number: MFCD00055507
SMILES: OC(C(C)(C)C)C(n1ncnc1)Oc1ccc(cc1)Cl
Properties
Form: Solid  
MP: 112-117°  
Refractive Index: 1.5270 (estimate)  
Storage: 2-8℃;  
Complexity: 303  
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: 4  
Hydrogen Bond Donor Count: 1  
Isotope Atom Count: 0  
Rotatable Bond Count: 5  
Undefined Atom Stereocenter Count: 2  
Undefined Bond Stereocenter Count: 0  
XLogP3: 3.1  
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