Palbociclib Impurity C

CAT: 1299-RM-P020303-03Size: 50 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P020303-03Size:50 mg

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CAS Number

153747-97-8

Synonyms

Tert-butyl 4- (5-bromopyridin-2-yl) piperazine-1-carboxylate

Molecular Formula

C14H20BrN3O2

Molecular Weight

342.23

Target Alternative Name

Palbociclib

Product Name Synonym

Tert-butyl 4- (5-bromopyridin-2-yl) piperazine-1-carboxylate

Chemical Information

4-Boc-1-(5-bromo-2-pyridyl)piperazine

CAS Number	153747-97-8
PubChem CID	11244775
IUPAC Name	tert-butyl 4-(5-bromo-2-pyridinyl)piperazine-1-carboxylate
Molecular Formula	C14H20BrN3O2
Molecular Weight	342.23
XLogP	2.7
Topological Polar Surface Area	45.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Heavy Atom Count	20
Formal Charge	0
Complexity	338

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=NC=C(C=C2)Br

InChI

InChI=1S/C14H20BrN3O2/c1-14(2,3)20-13(19)18-8-6-17(7-9-18)12-5-4-11(15)10-16-12/h4-5,10H,6-9H2,1-3H3

InChIKey

DSLVSFMWCDGZIL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 153747-97-8

CID: 11244775

Formula: C14H20BrN3O2

MW: 342.23

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	342.23
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	4
Rotatable Bond Count	3
Exact Mass	341.07389
Monoisotopic Mass	341.07389
Topological Polar Surface Area	45.7 Å²
Heavy Atom Count	20
Formal Charge	0
Complexity	338
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