![3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid structure](/static/products/3843/384352-98-1.webp)
3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
TL;DR: 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid (CAS 384352-98-1) is a chemical compound with molecular formula C20H20N4O4S2 and molecular weight 444.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-4-oxo-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, (Z)-3-(4-oxo-5-((4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5Z)-4-oxo-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-{4-oxo-5-[(4-oxo-2-piperidyl(5-hydropyridino[1,2-a]pyrimidin-3-yl))methylene ]-2-thioxo-1,3-thiazolidin-3-yl}propanoic acid
| Molecular Formula | C20H20N4O4S2 |
|---|---|
| Molecular Weight | 444.09 g/mol |
| LogP | 2.3607 |
| Topological Polar Surface Area | 95.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 444.0926 |
| Heavy Atoms | 30 |
| Complexity | 1121.477 |
Chemical Identifiers
| CAS Number | 384352-98-1 |
|---|---|
| SMILES | C1CCN(CC1)C2=C(C(=O)N3C=CC=CC3=N2)/C=C\4/C(=O)N(C(=S)S4)CCC(=O)O |
Product Overview
3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid (CAS 384352-98-1), with molecular formula C20H20N4O4S2 and molecular weight 444.09 g/mol. IUPAC: 3-[(5Z)-4-oxo-5-[(4-oxo-2-piperidin-1-ylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Property Insights of 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
The XLogP value of 2.3607 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid. The TPSA of 95.22 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The CAS number of 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is 384352-98-1.
What is the molecular formula of 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The molecular formula of 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is C20H20N4O4S2.
What is the molecular weight of 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The molecular weight of 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is 444.09 g/mol.
Where can I buy 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
You can request a quote for 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5Z)-4-oxo-5-{[4-oxo-2-(piperidin-1-yl)-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.