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RBPJ Inhibitor-1

CAT: 0607-C8523-50Size: 50 mgDry Ice: NoHazardous: No
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CAT#:0607-C8523-50Size:50 mg
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CAS Number
2682114-39-0
Synonyms
RIN1
Molecular Formula
C17H14FN3O2
Molecular Weight
311.31
Storage Conditions
Store at -20°C
Physical Properties
A solid

Chemical Information

2-(2-Fluorophenoxy)-4-(1-methyl-1H-pyrazol-5-yl)benzamide
CAS Number2682114-39-0
PubChem CID146019721
IUPAC Name2-(2-fluorophenoxy)-4-(2-methylpyrazol-3-yl)benzamide
Molecular FormulaC17H14FN3O2
Molecular Weight311.31
XLogP2.4
Topological Polar Surface Area70.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count23
Formal Charge0
Complexity423
SMILES
CN1C(=CC=N1)C2=CC(=C(C=C2)C(=O)N)OC3=CC=CC=C3F
InChI
InChI=1S/C17H14FN3O2/c1-21-14(8-9-20-21)11-6-7-12(17(19)22)16(10-11)23-15-5-3-2-4-13(15)18/h2-10H,1H3,(H2,19,22)
InChIKey
MFSSHRCJKRDIOL-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 2-(2-Fluorophenoxy)-4-(1-methyl-1H-pyrazol-5-yl)benzamide
CAS: 2682114-39-0
CID: 146019721
Formula: C17H14FN3O2
MW: 311.31
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight311.31
XLogP32.4
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass311.10700486
Monoisotopic Mass311.10700486
Topological Polar Surface Area70.1 Ų
Heavy Atom Count23
Formal Charge0
Complexity423
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