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BAY 293

CAT: 0926-UPD90470-01Size: 10 mgDry Ice: NoHazardous: No
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CAT#:0926-UPD90470-01Size:10 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
2244904-70-7
Smiles
CC1=NC2=CC (=C (C=C2C (=N1) N[C@H] (C) C3=CC (=CS3) C4=CC=CC=C4CNC) OC) OC
Molecular Formula
C25H28N4O2S
Molecular Weight
448.59 g/mol
Controlled
No

Chemical Information

Bay-293

BAY-293 is an organic molecular entity.

CAS Number2244904-70-7
PubChem CID137322663
IUPAC Name6,7-dimethoxy-2-methyl-N-[(1R)-1-[4-[2-(methylaminomethyl)phenyl]thiophen-2-yl]ethyl]quinazolin-4-amine
Molecular FormulaC25H28N4O2S
Molecular Weight448.6
XLogP4.8
Topological Polar Surface Area96.5
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Heavy Atom Count32
Formal Charge0
Complexity584
SMILES
CC1=NC2=CC(=C(C=C2C(=N1)N[C@H](C)C3=CC(=CS3)C4=CC=CC=C4CNC)OC)OC
InChI
InChI=1S/C25H28N4O2S/c1-15(24-10-18(14-32-24)19-9-7-6-8-17(19)13-26-3)27-25-20-11-22(30-4)23(31-5)12-21(20)28-16(2)29-25/h6-12,14-15,26H,13H2,1-5H3,(H,27,28,29)/t15-/m1/s1
InChIKey
WEGLOYDTDILXDA-OAHLLOKOSA-N
Chemical Structure
2D Structure
2D structure of Bay-293
CAS: 2244904-70-7
CID: 137322663
Formula: C25H28N4O2S
MW: 448.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight448.6
XLogP34.8
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count8
Exact Mass448.19329732
Monoisotopic Mass448.19329732
Topological Polar Surface Area96.5 Ų
Heavy Atom Count32
Formal Charge0
Complexity584
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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