Palbociclib Impurity 30

CAT: 1596-AR-P01083-02Size: 25 UnitsDry Ice: NoHazardous: No

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CAT#:1596-AR-P01083-02Size:25 Units

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CAS Number

2324831-15-2

Synonyms

6-bromo-5- (bromomethyl) -2-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7 (8H) -one

Molecular Formula

C13H12Br2ClN3O

Molecular Weight

421.52

API Name

Palbociclib

Chemical Information

6-Bromo-5-(bromomethyl)-2-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7(8H)-one

CAS Number	2324831-15-2
PubChem CID	141741840
IUPAC Name	6-bromo-5-(bromomethyl)-2-chloro-8-cyclopentylpyrido[2,3-d]pyrimidin-7-one
Molecular Formula	C13H12Br2ClN3O
Molecular Weight	421.51
XLogP	3.4
Topological Polar Surface Area	46.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Heavy Atom Count	20
Formal Charge	0
Complexity	439

SMILES

C1CCC(C1)N2C3=NC(=NC=C3C(=C(C2=O)Br)CBr)Cl

InChI

InChI=1S/C13H12Br2ClN3O/c14-5-8-9-6-17-13(16)18-11(9)19(12(20)10(8)15)7-3-1-2-4-7/h6-7H,1-5H2

InChIKey

KJXTZGCEBDAVJL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 2324831-15-2

CID: 141741840

Formula: C13H12Br2ClN3O

MW: 421.51

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	421.51
XLogP3	3.4
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	2
Exact Mass	420.90152
Monoisotopic Mass	418.90356
Topological Polar Surface Area	46.1 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	439
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