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BRD3731

CAT: 0607-BA8697-5.1Size: 1 mL (10 mM in DMSO)Dry Ice: NoHazardous: No
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CAT#:0607-BA8697-5.1Size:1 mL (10 mM in DMSO)
Selected
24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2056262-07-6
Form
A solid
Molecular Formula
C24H31N3O
Molecular Weight
377.52
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

CID 135567205
CAS Number2056262-07-6
PubChem CID135567205
IUPAC Name(4S)-3-(2,2-dimethylpropyl)-4,7,7-trimethyl-4-phenyl-2,6,8,9-tetrahydropyrazolo[3,4-b]quinolin-5-one
Molecular FormulaC24H31N3O
Molecular Weight377.5
XLogP5.6
Topological Polar Surface Area57.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Heavy Atom Count28
Formal Charge0
Complexity668
SMILES
C[C@]1(C2=C(CC(CC2=O)(C)C)NC3=NNC(=C31)CC(C)(C)C)C4=CC=CC=C4
InChI
InChI=1S/C24H31N3O/c1-22(2,3)12-17-20-21(27-26-17)25-16-13-23(4,5)14-18(28)19(16)24(20,6)15-10-8-7-9-11-15/h7-11H,12-14H2,1-6H3,(H2,25,26,27)/t24-/m1/s1
InChIKey
YZRXTIGAQRIAEX-XMMPIXPASA-N
Chemical Structure
2D Structure
2D structure of CID 135567205
CAS: 2056262-07-6
CID: 135567205
Formula: C24H31N3O
MW: 377.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight377.5
XLogP35.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count3
Rotatable Bond Count3
Exact Mass377.246712621
Monoisotopic Mass377.246712621
Topological Polar Surface Area57.8 Ų
Heavy Atom Count28
Formal Charge0
Complexity668
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

Alternative Products

CatalogName
GHD26207-01BRD3731
T39457-01(R)-BRD3731
HY-124607-01(R) -BRD3731

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