![(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](/static/products/101/1019776-32-9.png)
(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 522.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(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
| Molecular Formula | C25H22N4O5S2 |
|---|---|
| Molecular Weight | 522.10 g/mol |
| LogP | 3.4155 |
| Topological Polar Surface Area | 94.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 522.10315 |
| Heavy Atoms | 36 |
| Complexity | 1464.5703 |
Chemical Identifiers
| CAS Number | 1019776-32-9 |
|---|---|
| SMILES | C1CC(OC1)CNC2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CC5=CC6=C(C=C5)OCO6 |
Product Overview
(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), with molecular formula C25H22N4O5S2 and molecular weight 522.10 g/mol. IUPAC: (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.
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
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 3.4155 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 94.4 Ų falls within the moderate polarity range, balancing permeability and solubility 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. 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
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 522.10 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 KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO 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, KEHONG BIO 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.