(S)-tert-Butyl 4-(4-((benzyloxy)carbonyl)-3-(cyanomethyl)piperazin-1-yl)-2-(methylthio)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate

Name: (S)-tert-Butyl 4-(4-((benzyloxy)carbonyl)-3-(cyanomethyl)piperazin-1-yl)-2-(methylthio)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate
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CAS No. 2206736-97-0
Cat. No. CS-0106561
Molecule weight538.66
Purity≥96%
MDL No.None

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Accessible (Haz class 3, 4, 5 or 8), Domestic	$158.00+
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(S)-tert-Butyl 4-(4-((benzyloxy)carbonyl)-3-(cyanomethyl)piperazin-1-yl)-2-(methylthio)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate|CS-0106561

Structure of 2206736-97-0

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General Information
Safety Information
Quality Control
Computational Chemistry Data

General Information

CAS No. 2206736-97-0
Cat. No. CS-0106561
Purity ≥96%
MDL No. None
Storage 4°C, protect from light
Shipping Room temperature in continental US; may vary elsewhere.
Molecular Formula C₂₇H₃₄N₆O₄S
Molecular Weight 538.66
Synonym(s) None
SMILES O=C(N1CCC2=C(N3C[C@H](CC#N)N(C(OCC4=CC=CC=C4)=O)CC3)N=C(SC)N=C2C1)OC(C)(C)C

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 111.89
LogP 4.23278
H_Acceptors 9
H_Donors 0
Rotatable_Bonds 5

Other Classifications

Building Blocks Functional Group Cyanide/Nitrile

Building Blocks Functional Group Amide

Building Blocks Functional Group Ester

Building Blocks Skeleton Aromatic heterocycle compounds Pyrimidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperidine compounds

Building Blocks Skeleton Aliphatic heterocycle compounds Piperazine compounds

Building Blocks Skeleton Aromatic ring compounds Benzene compounds

Building Blocks Skeleton Chiral compounds Chiral Building Blocks

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(S)-tert-Butyl 4-(4-((benzyloxy)carbonyl)-3-(cyanomethyl)piperazin-1-yl)-2-(methylthio)-5,6-dihydropyrido[3,4-d]pyrimidine-7(8H)-carboxylate

CAS No. 2206736-97-0