![3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/799/799776-67-3.png)
3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 799776-67-3) is a chemical compound with molecular formula C26H19N3O2S3 and molecular weight 501.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-phenethyl-2-thioxothiazolidin-4-one, (5Z)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-phenethyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C26H19N3O2S3 |
|---|---|
| Molecular Weight | 501.06 g/mol |
| LogP | 5.2896 |
| Topological Polar Surface Area | 54.68 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 501.06393 |
| Heavy Atoms | 34 |
| Complexity | 1467.4137 |
Chemical Identifiers
| CAS Number | 799776-67-3 |
|---|---|
| SMILES | C1=CC=C(C=C1)CCN2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)SC5=CC=CC=C5)/SC2=S |
Product Overview
3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 799776-67-3), with molecular formula C26H19N3O2S3 and molecular weight 501.06 g/mol. IUPAC: (5Z)-5-[(4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 5.2896 indicates that 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.68 Ų, 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one has 0 hydrogen bond donor(s) and 6 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)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one is 799776-67-3.
What is the molecular formula of 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one is C26H19N3O2S3.
What is the molecular weight of 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one is 501.06 g/mol.
Where can I buy 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-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)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{(Z)-[4-oxo-3-(2-phenylethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.