Palbociclib Impurity 28

CAT: 1596-AR-P01092-01Size: 50 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P01092-01Size:50 Units

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1922954-32-2

Synonyms

6-bromo-8-cyclopentyl-2-hydroxy-5-methylpyrido[2,3-d]pyrimidin-7 (8H) -one

Molecular Formula

C13H14BrN3O2

Molecular Weight

324.18

API Name

Palbociclib

Chemical Information

6-bromo-8-cyclopentyl-2-hydroxy-5-methyl-7H,8H-pyrido(2,3-d)pyrimidin-7-one

CAS Number	1922954-32-2
PubChem CID	154630294
IUPAC Name	6-bromo-8-cyclopentyl-5-methyl-1H-pyrido[2,3-d]pyrimidine-2,7-dione
Molecular Formula	C13H14BrN3O2
Molecular Weight	324.17
XLogP	1.2
Topological Polar Surface Area	61.8
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Heavy Atom Count	19
Formal Charge	0
Complexity	556

SMILES

CC1=C(C(=O)N(C2=C1C=NC(=O)N2)C3CCCC3)Br

InChI

InChI=1S/C13H14BrN3O2/c1-7-9-6-15-13(19)16-11(9)17(12(18)10(7)14)8-4-2-3-5-8/h6,8H,2-5H2,1H3,(H,15,16,19)

InChIKey

NMGXNMVHGSBKGT-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1922954-32-2

CID: 154630294

Formula: C13H14BrN3O2

MW: 324.17

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	324.17
XLogP3	1.2
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	1
Exact Mass	323.02694
Monoisotopic Mass	323.02694
Topological Polar Surface Area	61.8 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	556
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes