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Oxide-DFHBI-demethyl

CAT: 0931-T212201-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0931-T212201-01Size:10 mg
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CAS Number
2669971-68-8
Target
Ligands for Target Protein for PROTAC
Related Pathways
PROTAC
Bioactivity
Oxide-DFHBI-demethyl is a ligand for target protein (Ligand for Target Protein for PROTAC) . It can be used in the synthesis of PROTACDth based on RNA aptamers.
Smiles
O=C1OC(=NC1=CC2=CC(F)=C(O)C(F)=C2)C
Molecular Formula
C11H7F2NO3
Molecular Weight
239.18
Shipping Conditions
Ice Packs
Storage Temperature
-20°C

Chemical Information

4-[(3,5-Difluoro-4-hydroxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CAS Number2669971-68-8
PubChem CID178203419
IUPAC Name4-[(3,5-difluoro-4-hydroxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
Molecular FormulaC11H7F2NO3
Molecular Weight239.17
XLogP1.7
Topological Polar Surface Area58.9
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count17
Formal Charge0
Complexity382
SMILES
CC1=NC(=CC2=CC(=C(C(=C2)F)O)F)C(=O)O1
InChI
InChI=1S/C11H7F2NO3/c1-5-14-9(11(16)17-5)4-6-2-7(12)10(15)8(13)3-6/h2-4,15H,1H3
InChIKey
OZFQWFUNWCFZQU-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 4-[(3,5-Difluoro-4-hydroxyphenyl)methylidene]-2-methyl-1,3-oxazol-5-one
CAS: 2669971-68-8
CID: 178203419
Formula: C11H7F2NO3
MW: 239.17
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight239.17
XLogP31.7
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass239.03939941
Monoisotopic Mass239.03939941
Topological Polar Surface Area58.9 Ų
Heavy Atom Count17
Formal Charge0
Complexity382
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count1
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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HY-176802Oxide-DFHBI-demethyl-C6-NH2
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