(3R,4R)-1,2,3,4-Tetrahydro-1-oxo-3-(3-pyridinyl)-2-(2,2,2-trifluoroethyl)-4-isoquinolinecarboxylic acid

Name: (3R,4R)-1,2,3,4-Tetrahydro-1-oxo-3-(3-pyridinyl)-2-(2,2,2-trifluoroethyl)-4-isoquinolinecarboxylic acid
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CAS No. 1620486-52-3
Cat. No. CS-0034924
Purity≥95%
MDL No.MFCD31630761

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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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(3R,4R)-1,2,3,4-Tetrahydro-1-oxo-3-(3-pyridinyl)-2-(2,2,2-trifluoroethyl)-4-isoquinolinecarboxylic acid|CS-0034924

Structure of 1620486-52-3

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General Information

CAS No. 1620486-52-3
Cat. No. CS-0034924
Purity ≥95%
MDL No. MFCD31630761
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₁₇H₁₃F₃N₂O₃
Molecular Weight 350.29
Synonym(s) (3R,4R)-1-Oxo-3-(3-pyridinyl)-2-(2,2,2-trifluoroethyl)-1,2,3,4-tetrahydro-4-isoquinolinecarboxylic acid
SMILES O=C([C@H](C1=C2C=CC=C1)[C@H](C3=CC=CN=C3)N(CC(F)(F)F)C2=O)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

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Computational Chemistry Data

TPSA 70.5
LogP 3.0092
H_Acceptors 3
H_Donors 1
Rotatable_Bonds 3

Other Classifications

Building Blocks Functional Group Carboxylic Acid

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Building Blocks Skeleton Aromatic heterocycle compounds Pyridine compounds

Building Blocks Skeleton Aromatic heterocycle compounds Tetrahydroisoquinoline compounds

Key Words

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(3R,4R)-1,2,3,4-Tetrahydro-1-oxo-3-(3-pyridinyl)-2-(2,2,2-trifluoroethyl)-4-isoquinolinecarboxylic acid

CAS No. 1620486-52-3

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