Products for Research Use Only

BFH-772

CAT: 1410-M16425-04Size: 10 mgDry Ice: NoHazardous: No
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CAT#:1410-M16425-04Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
A potent, selective and orally active VEGFR2 tyrosine kinase inhibitor with IC50 of 3 nM.
CAS Number
890128-81-1
Stability
≥ 2 years
Purity
>98% (HPLC)
Weight
439.3867
Molecular Formula
C23H16F3N3O3
Notes
Research use only, not for human use.
Receptor
VEGFR2

Chemical Information

Bfh-772

BFH772 is under investigation in clinical trial NCT01449591 (Safety, Tolerability and Efficacy of BFH772 in Rosacea Patients).

CAS Number890128-81-1
PubChem CID24756034
IUPAC Name6-[6-(hydroxymethyl)pyrimidin-4-yl]oxy-N-[3-(trifluoromethyl)phenyl]naphthalene-1-carboxamide
Molecular FormulaC23H16F3N3O3
Molecular Weight439.4
XLogP4.2
Topological Polar Surface Area84.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Heavy Atom Count32
Formal Charge0
Complexity635
SMILES
C1=CC(=CC(=C1)NC(=O)C2=CC=CC3=C2C=CC(=C3)OC4=NC=NC(=C4)CO)C(F)(F)F
InChI
InChI=1S/C23H16F3N3O3/c24-23(25,26)15-4-2-5-16(10-15)29-22(31)20-6-1-3-14-9-18(7-8-19(14)20)32-21-11-17(12-30)27-13-28-21/h1-11,13,30H,12H2,(H,29,31)
InChIKey
JNLSTLQFDDAULK-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of Bfh-772
CAS: 890128-81-1
CID: 24756034
Formula: C23H16F3N3O3
MW: 439.4
Interactive 3D Structure
Loading 3D structure...
Computed Properties
PropertyValue
Molecular Weight439.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count8
Rotatable Bond Count5
Exact Mass439.11437587
Monoisotopic Mass439.11437587
Topological Polar Surface Area84.3 Ų
Heavy Atom Count32
Formal Charge0
Complexity635
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