![2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/877/877645-89-1.png)
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 877645-89-1) is a chemical compound with molecular formula C28H30N4O2S2 and molecular weight 518.18 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-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-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-hexyl-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-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C28H30N4O2S2 |
|---|---|
| Molecular Weight | 518.18 g/mol |
| LogP | 5.34712 |
| Topological Polar Surface Area | 57.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 518.181 |
| Heavy Atoms | 36 |
| Complexity | 1428.8071 |
Chemical Identifiers
| CAS Number | 877645-89-1 |
|---|---|
| SMILES | CCCCCCN1C(=O)/C(=C/C2=C(N=C3C=CC(=CN3C2=O)C)N4CCC5=CC=CC=C5C4)/SC1=S |
Product Overview
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 877645-89-1), with molecular formula C28H30N4O2S2 and molecular weight 518.18 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-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 5.34712 indicates that 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-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)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-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)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-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 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is 877645-89-1.
What is the molecular formula of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is C28H30N4O2S2.
What is the molecular weight of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is 518.18 g/mol.
Where can I buy 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-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)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.