tert-Butyl (2S,4R)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

Name: tert-Butyl (2S,4R)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate
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CAS No. 1404559-22-3
Cat. No. CS-0010318
Purity≥98%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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tert-Butyl (2S,4R)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate|CS-0010318

Structure of 1404559-22-3

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General Information

CAS No. 1404559-22-3
Cat. No. CS-0010318
Purity ≥98%
MDL No. None
Storage 4°C
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₇H₃₈N₆O₃S
Molecular Weight 526.69
Synonym(s) Teneligliptin Impurity 7
SMILES CC1=NN(C2=CC=CC=C2)C(N3CCN([C@]4([H])C[C@](C(N5CSCC5)=O)([H])N(C(OC(C)(C)C)=O)C4)CC3)=C1

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 74.15
LogP 3.21362
H_Acceptors 8
H_Donors 0
Rotatable_Bonds 4

Other Classifications

Building Blocks Skeleton Aromatic heterocycle compounds Pyrazole compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Pyrrolidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Thiazolidine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

Key Words

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tert-Butyl (2S,4R)-4-(4-(3-methyl-1-phenyl-1H-pyrazol-5-yl)piperazin-1-yl)-2-(thiazolidine-3-carbonyl)pyrrolidine-1-carboxylate

CAS No. 1404559-22-3

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