![2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/488/488744-41-8.png)
2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 488744-41-8) is a chemical compound with molecular formula C24H28N6O2S2 and molecular weight 496.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-methylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((2-((3-(1H-imidazol-1-yl)propyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isopentyl-2-thioxothiazolidin-4-one, (5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-methylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one, 5-({2-[(3-imidazolylpropyl)amino]-9-methyl-4-oxo(5-hydropyridino[1,2-a]pyrimid in-3-yl)}methylene)-3-(3-methylbutyl)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C24H28N6O2S2 |
|---|---|
| Molecular Weight | 496.17 g/mol |
| LogP | 3.94892 |
| Topological Polar Surface Area | 84.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 496.1715 |
| Heavy Atoms | 34 |
| Complexity | 1296.7806 |
Chemical Identifiers
| CAS Number | 488744-41-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCC(C)C)NCCCN4C=CN=C4 |
Product Overview
2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 488744-41-8), with molecular formula C24H28N6O2S2 and molecular weight 496.17 g/mol. IUPAC: (5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(3-methylbutyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 3.94892 indicates that 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-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. The TPSA of 84.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one 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 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is 488744-41-8.
What is the molecular formula of 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is C24H28N6O2S2.
What is the molecular weight of 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is 496.17 g/mol.
Where can I buy 2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-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-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-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-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-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-(1H-imidazol-1-yl)propyl]amino}-9-methyl-3-{(Z)-[3-(3-methylbutyl)-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.