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Asandeutertinib 5mg

CAT: 0628-A24030-5Size: 5 mgDry Ice: NoHazardous: No
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CAT#:0628-A24030-5Size:5 mg
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CAS Number
1638281-46-5

Chemical Information

Asandeutertinib
CAS Number1638281-46-5
PubChem CID87056175
IUPAC NameN-[2-[2-(dimethylamino)ethyl-methylamino]-4-methoxy-5-[[4-[1-(trideuteriomethyl)indol-3-yl]pyrimidin-2-yl]amino]phenyl]prop-2-enamide
Molecular FormulaC28H33N7O2
Molecular Weight502.6
XLogP3.7
Topological Polar Surface Area87.6
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Heavy Atom Count37
Formal Charge0
Complexity752
SMILES
[2H]C([2H])([2H])N1C=C(C2=CC=CC=C21)C3=NC(=NC=C3)NC4=C(C=C(C(=C4)NC(=O)C=C)N(C)CCN(C)C)OC
InChI
InChI=1S/C28H33N7O2/c1-7-27(36)30-22-16-23(26(37-6)17-25(22)34(4)15-14-33(2)3)32-28-29-13-12-21(31-28)20-18-35(5)24-11-9-8-10-19(20)24/h7-13,16-18H,1,14-15H2,2-6H3,(H,30,36)(H,29,31,32)/i5D3
InChIKey
DUYJMQONPNNFPI-VPYROQPTSA-N
Chemical Structure
2D Structure
2D structure of Asandeutertinib
CAS: 1638281-46-5
CID: 87056175
Formula: C28H33N7O2
MW: 502.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight502.6
XLogP33.7
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count7
Rotatable Bond Count10
Exact Mass502.28840356
Monoisotopic Mass502.28840356
Topological Polar Surface Area87.6 Ų
Heavy Atom Count37
Formal Charge0
Complexity752
Isotope Atom Count3
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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