![3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/578/578749-49-2.png)
3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 578749-49-2) is a chemical compound with molecular formula C27H21FN4O3S2 and molecular weight 532.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[(4-fluorophenyl)methyl]-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-(4-fluorobenzyl)-5-((2-((2-hydroxy-2-phenylethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-[(4-fluorophenyl)methyl]-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C27H21FN4O3S2 |
|---|---|
| Molecular Weight | 532.10 g/mol |
| LogP | 4.3805 |
| Topological Polar Surface Area | 86.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 532.1039 |
| Heavy Atoms | 37 |
| Complexity | 1572.644 |
Chemical Identifiers
| CAS Number | 578749-49-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(CNC2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CC5=CC=C(C=C5)F)O |
Product Overview
3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 578749-49-2), with molecular formula C27H21FN4O3S2 and molecular weight 532.10 g/mol. IUPAC: (5Z)-3-[(4-fluorophenyl)methyl]-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 4.3805 indicates that 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one has 2 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-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is 578749-49-2.
What is the molecular formula of 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is C27H21FN4O3S2.
What is the molecular weight of 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is 532.10 g/mol.
Where can I buy 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-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-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{(Z)-[3-(4-fluorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.