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Abemaciclib Impurity 75

CAT: 1299-RM-A305075-02Size: 25 mgDry Ice: NoHazardous: No
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CAT#:1299-RM-A305075-02Size:25 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1873299-08-1
Synonyms
(4-ethylpiperazin-1-yl) (6- ((5-fluoro-4- (4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl) pyrimidin-2-yl) amino) pyridin-3-yl) methanone
Molecular Formula
C27H30F2N8O
Molecular Weight
520.59
Target Alternative Name
Abemaciclib
Product Name Synonym
(4-ethylpiperazin-1-yl) (6- ((5-fluoro-4- (4-fluoro-1-isopropyl-2-methyl-1H-benzo[d]imidazol-6-yl) pyrimidin-2-yl) amino) pyridin-3-yl) methanone

Chemical Information

D725Yfl2G7
CAS Number1873299-08-1
PubChem CID118693560
IUPAC Name(4-ethylpiperazin-1-yl)-[6-[[5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-yl]amino]-3-pyridinyl]methanone
Molecular FormulaC27H30F2N8O
Molecular Weight520.6
XLogP3.5
Topological Polar Surface Area92.1
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Heavy Atom Count38
Formal Charge0
Complexity799
SMILES
CCN1CCN(CC1)C(=O)C2=CN=C(C=C2)NC3=NC=C(C(=N3)C4=CC5=C(C(=C4)F)N=C(N5C(C)C)C)F
InChI
InChI=1S/C27H30F2N8O/c1-5-35-8-10-36(11-9-35)26(38)18-6-7-23(30-14-18)33-27-31-15-21(29)24(34-27)19-12-20(28)25-22(13-19)37(16(2)3)17(4)32-25/h6-7,12-16H,5,8-11H2,1-4H3,(H,30,31,33,34)
InChIKey
FWHOTIUAGLBTER-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of D725Yfl2G7
CAS: 1873299-08-1
CID: 118693560
Formula: C27H30F2N8O
MW: 520.6
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight520.6
XLogP33.5
Hydrogen Bond Donor Count1
Hydrogen Bond Acceptor Count9
Rotatable Bond Count6
Exact Mass520.25106393
Monoisotopic Mass520.25106393
Topological Polar Surface Area92.1 Ų
Heavy Atom Count38
Formal Charge0
Complexity799
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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