![2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/877/877797-18-7.png)
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 877797-18-7) is a chemical compound with molecular formula C26H26N4O2S2 and molecular weight 490.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one, (5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[7-METHYL-4-OXO-2-(1,2,3,4-TETRAHYDROISOQUINOLIN-2-YL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-3-(2-METHYLPROPYL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE
| Molecular Formula | C26H26N4O2S2 |
|---|---|
| Molecular Weight | 490.15 g/mol |
| LogP | 4.42282 |
| Topological Polar Surface Area | 57.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.14972 |
| Heavy Atoms | 34 |
| Complexity | 1409.6663 |
Chemical Identifiers
| CAS Number | 877797-18-7 |
|---|---|
| SMILES | CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CC(C)C)N4CCC5=CC=CC=C5C4)C=C1 |
Product Overview
2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 877797-18-7), with molecular formula C26H26N4O2S2 and molecular weight 490.15 g/mol. IUPAC: (5Z)-5-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 4.42282 indicates that 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-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 57.92 Ų, 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one has 0 hydrogen bond donor(s) and 6 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 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is 877797-18-7.
What is the molecular formula of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is C26H26N4O2S2.
What is the molecular weight of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is 490.15 g/mol.
Where can I buy 2-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-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-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-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-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-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-(3,4-dihydroisoquinolin-2(1H)-yl)-7-methyl-3-{(Z)-[3-(2-methylpropyl)-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.