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KLH45

CAT: 0127-BUP10609-03Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0127-BUP10609-03Size:50 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1632236-44-2
Synonyms
KLH-45, KLH 45
Purity
=98%
Smiles
FC(F)(F)Oc1ccc(cc1)-c1cnn(n1)C(=O)N(CCc1ccccc1)C1CCCCC1

Chemical Information

N-Cyclohexyl-N-phenethyl-4-(4-(trifluoromethoxy)phenyl)-2H-1,2,3-triazole-2-carboxamide
CAS Number1632236-44-2
PubChem CID126970670
IUPAC NameN-cyclohexyl-N-(2-phenylethyl)-4-[4-(trifluoromethoxy)phenyl]triazole-2-carboxamide
Molecular FormulaC24H25F3N4O2
Molecular Weight458.5
XLogP6.7
Topological Polar Surface Area60.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Heavy Atom Count33
Formal Charge0
Complexity615
SMILES
C1CCC(CC1)N(CCC2=CC=CC=C2)C(=O)N3N=CC(=N3)C4=CC=C(C=C4)OC(F)(F)F
InChI
InChI=1S/C24H25F3N4O2/c25-24(26,27)33-21-13-11-19(12-14-21)22-17-28-31(29-22)23(32)30(20-9-5-2-6-10-20)16-15-18-7-3-1-4-8-18/h1,3-4,7-8,11-14,17,20H,2,5-6,9-10,15-16H2
InChIKey
FYOYNRLSBYWAHL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-Cyclohexyl-N-phenethyl-4-(4-(trifluoromethoxy)phenyl)-2H-1,2,3-triazole-2-carboxamide
CAS: 1632236-44-2
CID: 126970670
Formula: C24H25F3N4O2
MW: 458.5
Interactive 3D Structure
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View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight458.5
XLogP36.7
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count7
Rotatable Bond Count6
Exact Mass458.19296054
Monoisotopic Mass458.19296054
Topological Polar Surface Area60.3 Ų
Heavy Atom Count33
Formal Charge0
Complexity615
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

Alternative Products

CatalogName
BA8102-5.1KLH45
A22148-100KLH45 100mg
A22148-50KLH45 50mg
A22148-10KLH45 10mg
A22148-5KLH45 5mg
A22148-25KLH45 25mg
A22148-10mM-DKLH45 10mM * 1mL in DMSO

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