![2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/4888/488841-82-3.webp)
2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 488841-82-3) is a chemical compound with molecular formula C26H27N5O3S2 and molecular weight 521.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(4-methylbenzyl)-2-thioxothiazolidin-4-one, 5-({2-[4-(2-hydroxyethyl)piperazinyl]-4-oxo(5-hydropyridino[1,2-a]pyrimidin-3- yl)}methylene)-3-[(4-methylphenyl)methyl]-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C26H27N5O3S2 |
|---|---|
| Molecular Weight | 521.16 g/mol |
| LogP | 2.51862 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 521.1555 |
| Heavy Atoms | 36 |
| Complexity | 1394.9502 |
Chemical Identifiers
| CAS Number | 488841-82-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)N5CCN(CC5)CCO)/SC2=S |
Product Overview
2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 488841-82-3), with molecular formula C26H27N5O3S2 and molecular weight 521.16 g/mol. IUPAC: (5Z)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methylphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 2.51862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one. The TPSA of 81.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-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-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is 488841-82-3.
What is the molecular formula of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is C26H27N5O3S2.
What is the molecular weight of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is 521.16 g/mol.
Where can I buy 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-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-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-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 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(4-methylbenzyl)-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.