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(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one structure
Fine Chemical

(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

TL;DR: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one (CAS 1019776-32-9) is a chemical compound with molecular formula C25H22N4O5S2 and molecular weight 522.10315 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

(5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

Also Known As: (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-(benzo[d][1,3]dioxol-5-ylmethyl)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-[(2H-1,3-BENZODIOXOL-5-YL)METHYL]-5-[(4-OXO-2-{[(OXOLAN-2-YL)METHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL)METHYLIDENE]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, 3-{(Z)-[3-(1,3-BENZODIOXOL-5-YLMETHYL)-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE]METHYL}-2-[(TETRAHYDRO-2-FURANYLMETHYL)AMINO]-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, 3-{(Z)-[3-(1,3-benzodioxol-5-ylmethyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(tetrahydrofuran-2-ylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one

CAS Number
1019776-32-9
Molecular Formula
C25H22N4O5S2
Molecular Weight
522.10315 g/mol
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Technical Specifications

Molecular FormulaC25H22N4O5S2
Molecular Weight522.10315 g/mol
XLogP3.1
Topological Polar Surface Area (TPSA)150.0 Ų
Hydrogen Bond Donors1
Hydrogen Bond Acceptors9
Rotatable Bonds6
Exact Mass522.10315 Da
Heavy Atoms36
Complexity1130.0
SMILESC1CC(OC1)CNC2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CC5=CC6=C(C=C5)OCO6
InChIKeyIMPOSTVHAGFZGF-JAIQZWGSSA-N

Chemical Property Profile of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

XLogP
3.1
TPSA (Topological Polar Surface Area)
150.0
Hydrogen Bond Donors
1
Hydrogen Bond Acceptors
9
Rotatable Bonds
6
Heavy Atoms
36
Complexity
1130.0
Exact Mass
522.10315
Monoisotopic Mass
522.10315
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 (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one

The XLogP value of 3.1 indicates that (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 150.0 Ų indicates high polarity, suggesting (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.

Frequently Asked Questions

What is the CAS number of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The CAS number of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is 1019776-32-9.

What is the molecular formula of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The molecular formula of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is C25H22N4O5S2.

What is the molecular weight of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

The molecular weight of (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one is 522.10315 g/mol.

Where can I buy (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

You can request a quote for (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one?

Yes, CoreyChem provides custom synthesis services for (5Z)-3-(1,3-benzodioxol-5-ylmethyl)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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