![3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid structure](/static/products/7142/714291-44-8.webp)
3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
TL;DR: 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid (CAS 714291-44-8) is a chemical compound with molecular formula C24H20N4O4S2 and molecular weight 492.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, (Z)-3-(5-((2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5Z)-4-OXO-5-{[4-OXO-2-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]PROPANOIC ACID, 3-[(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C24H20N4O4S2 |
|---|---|
| Molecular Weight | 492.09 g/mol |
| LogP | 2.9331 |
| Topological Polar Surface Area | 95.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 492.0926 |
| Heavy Atoms | 34 |
| Complexity | 1431.9854 |
Chemical Identifiers
| CAS Number | 714291-44-8 |
|---|---|
| SMILES | C1CN(CC2=CC=CC=C21)C3=C(C(=O)N4C=CC=CC4=N3)/C=C\5/C(=O)N(C(=S)S5)CCC(=O)O |
Product Overview
3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid (CAS 714291-44-8), with molecular formula C24H20N4O4S2 and molecular weight 492.09 g/mol. IUPAC: 3-[(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Property Insights of 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
The XLogP value of 2.9331 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-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)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-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)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The CAS number of 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is 714291-44-8.
What is the molecular formula of 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The molecular formula of 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is C24H20N4O4S2.
What is the molecular weight of 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The molecular weight of 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is 492.09 g/mol.
Where can I buy 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
You can request a quote for 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-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)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.