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2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one structure
Fine Chemical

2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

TL;DR: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 714234-74-9) is a chemical compound with molecular formula C30H26N4O3S2 and molecular weight 554.14465 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one

Also Known As: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one, (5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[2-(4-methoxyphenyl)ethyl]-2-sulfanylidene-1,3-thiazolidin-4-one

CAS Number
714234-74-9
Molecular Formula
C30H26N4O3S2
Molecular Weight
554.14465 g/mol
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Technical Specifications

Molecular FormulaC30H26N4O3S2
Molecular Weight554.14465 g/mol
XLogP5.0
Topological Polar Surface Area (TPSA)123.0 Ų
Hydrogen Bond Donors0
Hydrogen Bond Acceptors7
Rotatable Bonds6
Exact Mass554.14465 Da
Heavy Atoms39
Complexity1180.0
SMILESCOC1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)N5CCC6=CC=CC=C6C5)/SC2=S
InChIKeyOIUDVZXVYMCMAT-BWAHOGKJSA-N

Product Description

Applications: AC1LUG50 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1LUG50 (CAS 714234-74-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

AC1LUG50 is a fine chemical identified by CAS number 714234-74-9 and the molecular formula C30H26N4O3S2 and a molecular weight of 554.14 g/mol. It is also known as 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one and (Z)-5-((2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one.

CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.

Chemical Property Profile of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

XLogP
5.0
TPSA (Topological Polar Surface Area)
123.0
Hydrogen Bond Donors
0
Hydrogen Bond Acceptors
7
Rotatable Bonds
6
Heavy Atoms
39
Complexity
1180.0
Exact Mass
554.14465
Monoisotopic Mass
554.14465
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

The XLogP value of 5.0 indicates that 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one?

The CAS number of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one is 714234-74-9.

What is the molecular formula of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one?

The molecular formula of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one is C30H26N4O3S2.

What is the molecular weight of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one?

The molecular weight of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one is 554.14465 g/mol.

What are the applications of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one?

AC1LUG50 is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies AC1LUG50 (CAS 714234-74-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

Where can I buy 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one?

You can request a quote for 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one?

Yes, CoreyChem provides custom synthesis services for 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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