(S)-1-((R)-1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine 1-oxide Ibrutinib Impurity

Name: (S)-1-((R)-1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine 1-oxide Ibrutinib Impurity
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CAS No. 2031255-25-9
Cat. No. CS-0255381
Molecule weight456.50
Purity≥98%
MDL No.None

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FedEx Limited Quantities Ground	$0.00
Hazmat Ground shipping	$50.00+
Inaccessible (Haz class 6.1 or 9), Domestic	$68.00+
Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
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(S)-1-((R)-1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine 1-oxide Ibrutinib Impurity|CS-0255381

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General Information

CAS No. 2031255-25-9
Cat. No. CS-0255381
Purity ≥98%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₅H₂₄N₆O₃
Molecular Weight 456.50
Synonym(s) None
SMILES C=CC(N1C[C@H]([N@+]2([O-])N=C(C3=CC=C(OC4=CC=CC=C4)C=C3)C5=C(N)N=CN=C52)CCC1)=O

Safety Information

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GHS Pictogram :	GHS No : GHS07
Signal Word : Warning	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : H302-H315-H319-H335
Precautionary Statements : P261-P264-P270-P271-P280-P302+P352-P304+P340-P330-P362+P364-P405-P501

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Computational Chemistry Data

TPSA 116.76
LogP 3.5992
H_Acceptors 7
H_Donors 1
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Amine

Building Blocks Functional Group Ketone

Building Blocks Functional Group Olefins

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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(S)-1-((R)-1-Acryloylpiperidin-3-yl)-4-amino-3-(4-phenoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidine 1-oxide Ibrutinib Impurity

CAS No. 2031255-25-9

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