N-[5-(Methoxycarbonyloxy)-2,4-di(tert-butyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide

CAS No. 1246213-45-5
Cat. No. CS-0006688
Molecule weight450.53
Purity≥97%
MDL No.MFCD22665917

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Type	HazMat Fee
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+
Inaccessible (Haz class 6.1 or 9), International	$108.00+
Accessible (Haz class 3, 4, 5 or 8), International	$238.00+

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N-[5-(Methoxycarbonyloxy)-2,4-di(tert-butyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide|CS-0006688

Structure of 1246213-45-5

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General Information

CAS No. 1246213-45-5
Cat. No. CS-0006688
Purity ≥97%
MDL No. MFCD22665917
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₆H₃₀N₂O₅
Molecular Weight 450.53
Synonym(s) Ivacaftor Methylcarbonate
SMILES CC(C)(C)C1=C(NC(C2=CNC3=CC=CC=C3C2=O)=O)C=C(OC(OC)=O)C(C(C)(C)C)=C1

Safety Information

Download SDS

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 97.49
LogP 5.5206
H_Acceptors 5
H_Donors 2
Rotatable_Bonds 3

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds quinoline compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

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N-[5-(Methoxycarbonyloxy)-2,4-di(tert-butyl)phenyl]-4-oxo-1H-quinoline-3-carboxamide

CAS No. 1246213-45-5

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