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BRD1652

CAT: 0013-GTR19198000Size: 25 mgDry Ice: NoHazardous: No
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CAT#:0013-GTR19198000Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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Description
BRD1652
CAS Number
1597438-92-0
Field of Research
Signal Transduction, Stem Cell & Developmental Biology
Smiles
C[C@@]1 (C=2C (NC3=C1C (=O) CC (C) (C) C3) =NNC2C (F) (F) F) C4=CC=CC=C4
Molecular Formula
C20H20F3N3O
Molecular Weight
375.39
Storage Conditions
-20°C
Notes
For research use only.

Chemical Information

(4S)-4,7,7-trimethyl-4-phenyl-3-(trifluoromethyl)-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CAS Number1597438-92-0
PubChem CID136237017
IUPAC Name(4S)-4,7,7-trimethyl-4-phenyl-3-(trifluoromethyl)-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Molecular FormulaC20H20F3N3O
Molecular Weight375.4
XLogP4.5
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Heavy Atom Count27
Formal Charge0
Complexity666
SMILES
C[C@]1(C2=C(CC(CC2=O)(C)C)NC3=NNC(=C31)C(F)(F)F)C4=CC=CC=C4
InChI
InChI=1S/C20H20F3N3O/c1-18(2)9-12-14(13(27)10-18)19(3,11-7-5-4-6-8-11)15-16(20(21,22)23)25-26-17(15)24-12/h4-8H,9-10H2,1-3H3,(H2,24,25,26)/t19-/m1/s1
InChIKey
HSFYCTPGOPYGHQ-LJQANCHMSA-N
Chemical Structure
2D Structure
2D structure of (4S)-4,7,7-trimethyl-4-phenyl-3-(trifluoromethyl)-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
CAS: 1597438-92-0
CID: 136237017
Formula: C20H20F3N3O
MW: 375.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight375.4
XLogP34.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count6
Rotatable Bond Count1
Exact Mass375.15584676
Monoisotopic Mass375.15584676
Topological Polar Surface Area57.8 Ų
Heavy Atom Count27
Formal Charge0
Complexity666
Isotope Atom Count0
Defined Atom Stereocenter Count1
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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