![3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/489/489464-96-2.png)
3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 489464-96-2) is a chemical compound with molecular formula C25H24ClN5O2S2 and molecular weight 525.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-(2-chlorobenzyl)-5-((2-(4-ethylpiperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-[(2-chlorophenyl)methyl]-5-{[2-(4-ethylpiperazinyl)-4-oxo(5-hydropyridino[1, 2-a]pyrimidin-3-yl)]methylene}-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C25H24ClN5O2S2 |
|---|---|
| Molecular Weight | 525.11 g/mol |
| LogP | 3.8912 |
| Topological Polar Surface Area | 61.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 525.106 |
| Heavy Atoms | 35 |
| Complexity | 1398.1128 |
Chemical Identifiers
| CAS Number | 489464-96-2 |
|---|---|
| SMILES | CCN1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CC5=CC=CC=C5Cl |
Product Overview
3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 489464-96-2), with molecular formula C25H24ClN5O2S2 and molecular weight 525.11 g/mol. IUPAC: (5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-(4-ethylpiperazin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 3.8912 indicates that 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-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
Frequently Asked Questions
What is the CAS number of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one is 489464-96-2.
What is the molecular formula of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one is C25H24ClN5O2S2.
What is the molecular weight of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one is 525.11 g/mol.
Where can I buy 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(4-ethylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.