tert-butyl 4-(4-((5-(3-ethoxy-3-oxoprop-1-en-1-yl)-4-(ethylamino)pyrimidin-2-yl)amino)-2-fluorophenyl)piperazine-1-carboxylate

Name: tert-butyl 4-(4-((5-(3-ethoxy-3-oxoprop-1-en-1-yl)-4-(ethylamino)pyrimidin-2-yl)amino)-2-fluorophenyl)piperazine-1-carboxylate
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CAS No. 2449227-94-3
Cat. No. CS-M3011
Molecule weight514.59
Purity≥95%
MDL No.None

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Excepted Quantity	$0.00
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+
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tert-butyl 4-(4-((5-(3-ethoxy-3-oxoprop-1-en-1-yl)-4-(ethylamino)pyrimidin-2-yl)amino)-2-fluorophenyl)piperazine-1-carboxylate|CS-M3011

Structure of 2449227-94-3

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General Information
Safety Information
Quality Control
Computational Chemistry Data

General Information

CAS No. 2449227-94-3
Cat. No. CS-M3011
Purity ≥95%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₆H₃₅FN₆O₄
Molecular Weight 514.59
Synonym(s) None
SMILES CCNC1=NC(NC2=CC(F)=C(N3CCN(C(OC(C)(C)C)=O)CC3)C=C2)=NC=C1/C=C/C(OCC)=O

Safety Information

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GHS Pictogram : N/A	GHS No : N/A
Signal Word : N/A	UN#: N/A
Class : N/A	Packing Group : N/A
Hazard Statements : N/A
Precautionary Statements : N/A

Quality Control

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Computational Chemistry Data

TPSA 108.92
LogP 4.4245
H_Acceptors 9
H_Donors 2
Rotatable_Bonds 8

Other Classifications

Building Blocks Functional Group Fluoride

Building Blocks Functional Group Olefins

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Key Words

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tert-butyl 4-(4-((5-(3-ethoxy-3-oxoprop-1-en-1-yl)-4-(ethylamino)pyrimidin-2-yl)amino)-2-fluorophenyl)piperazine-1-carboxylate

CAS No. 2449227-94-3