Palbociclib Impurity G

CAT: 1299-RM-P020307-02Size: 25 mgDry Ice: NoHazardous: No

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CAT#:1299-RM-P020307-02Size:25 mg

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CAS Number

633283-54-2

Synonyms

Di-tert-butyl 4,4'- (pyridine-2,5-diyl) bis (piperazine-1-carboxylate)

Molecular Formula

C23H37N5O4

Molecular Weight

447.57

Target Alternative Name

Palbociclib

Product Name Synonym

Di-tert-butyl 4,4'- (pyridine-2,5-diyl) bis (piperazine-1-carboxylate)

Chemical Information

Di-tert-butyl 4,4'-(pyridine-2,5-diyl)bis(piperazine-1-carboxylate)

CAS Number	633283-54-2
PubChem CID	101269929
IUPAC Name	tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-3-pyridinyl]piperazine-1-carboxylate
Molecular Formula	C23H37N5O4
Molecular Weight	447.6
XLogP	2.7
Topological Polar Surface Area	78.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Heavy Atom Count	32
Formal Charge	0
Complexity	644

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C2=CN=C(C=C2)N3CCN(CC3)C(=O)OC(C)(C)C

InChI

InChI=1S/C23H37N5O4/c1-22(2,3)31-20(29)27-13-9-25(10-14-27)18-7-8-19(24-17-18)26-11-15-28(16-12-26)21(30)32-23(4,5)6/h7-8,17H,9-16H2,1-6H3

InChIKey

MKXADQZBQBHBBF-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 633283-54-2

CID: 101269929

Formula: C23H37N5O4

MW: 447.6

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	447.6
XLogP3	2.7
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	7
Rotatable Bond Count	6
Exact Mass	447.28455468
Monoisotopic Mass	447.28455468
Topological Polar Surface Area	78.5 Å²
Heavy Atom Count	32
Formal Charge	0
Complexity	644
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