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KPT-185

CAT: 0607-B1462-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-B1462-50Size:50 mg
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Description
CRM1 inhibitor,selective and irrversible
CAS Number
1333151-73-7
Product Name Alternative
propan-2-yl (Z)-3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate
Field of Research
Cell Cycle Checkpoint CRM1
Purity
0.98
Form
A solid
Solubility
insoluble in H2O; ≥17.77 mg/mL in DMSO; ≥25.2 mg/mL in EtOH
Smiles
CC(C)OC(=O)C=CN1C=NC(=N1)C2=CC(=CC(=C2)OC)C(F)(F)F
Molecular Formula
C16H16F3N3O3
Molecular Weight
355.31
Shipping Conditions
Blue ice
Storage Conditions
Store at -20°C.

Chemical Information

propan-2-yl (Z)-3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate
CAS Number1333151-73-7
PubChem CID53495165
IUPAC Namepropan-2-yl (Z)-3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate
Molecular FormulaC16H16F3N3O3
Molecular Weight355.31
XLogP3.4
Topological Polar Surface Area66.2
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Heavy Atom Count25
Formal Charge0
Complexity485
SMILES
CC(C)OC(=O)/C=C\N1C=NC(=N1)C2=CC(=CC(=C2)OC)C(F)(F)F
InChI
InChI=1S/C16H16F3N3O3/c1-10(2)25-14(23)4-5-22-9-20-15(21-22)11-6-12(16(17,18)19)8-13(7-11)24-3/h4-10H,1-3H3/b5-4-
InChIKey
NLNGWFLRRRYNIL-PLNGDYQASA-N
Chemical Structure
2D Structure
2D structure of propan-2-yl (Z)-3-[3-[3-methoxy-5-(trifluoromethyl)phenyl]-1,2,4-triazol-1-yl]prop-2-enoate
CAS: 1333151-73-7
CID: 53495165
Formula: C16H16F3N3O3
MW: 355.31
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight355.31
XLogP33.4
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count8
Rotatable Bond Count6
Exact Mass355.11437587
Monoisotopic Mass355.11437587
Topological Polar Surface Area66.2 Ų
Heavy Atom Count25
Formal Charge0
Complexity485
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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