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BAY-771

CAT: 0013-GTR19210497-01Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19210497-01Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BAY-069 is a potent and selective chemical probe inhibiting BCAT1/2, suitable for in vivo studies due to its favorable pharmacokinetics. It is used in cancer metabolism research, particularly for investigating branched-chain amino acid pathways in cellular and animal models. BAY-771 serves as its negative control compound.
CAS Number
2771756-82-0
Product Name Alternative
BAY 771, BAY771, BAY-771
Purity
98.61% (May vary between batches)
Smiles
O=C1N (C=2C3=C (C=C (OC4=C (C) C=CC=C4) C2) C=CC=C3) C (=O) NC (C (F) (F) F) =C1
Molecular Formula
C22H15F3N2O3
Molecular Weight
412.36
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

3-[3-(2-Methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CAS Number2771756-82-0
PubChem CID155563095
IUPAC Name3-[3-(2-methylphenoxy)naphthalen-1-yl]-6-(trifluoromethyl)-1H-pyrimidine-2,4-dione
Molecular FormulaC22H15F3N2O3
Molecular Weight412.4
XLogP4.8
Topological Polar Surface Area58.6
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Heavy Atom Count30
Formal Charge0
Complexity708
SMILES
CC1=CC=CC=C1OC2=CC3=CC=CC=C3C(=C2)N4C(=O)C=C(NC4=O)C(F)(F)F
InChI
InChI=1S/C22H15F3N2O3/c1-13-6-2-5-9-18(13)30-15-10-14-7-3-4-8-16(14)17(11-15)27-20(28)12-19(22(23,24)25)26-21(27)29/h2-12H,1H3,(H,26,29)
InChIKey
LZLNIHXKWZZQLE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 3-[3-(2-Methylphenoxy)-1-naphthalenyl]-6-(trifluoromethyl)-2,4(1H,3H)-pyrimidinedione
CAS: 2771756-82-0
CID: 155563095
Formula: C22H15F3N2O3
MW: 412.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight412.4
XLogP34.8
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count6
Rotatable Bond Count3
Exact Mass412.10347683
Monoisotopic Mass412.10347683
Topological Polar Surface Area58.6 Ų
Heavy Atom Count30
Formal Charge0
Complexity708
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

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