![4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid structure](/static/products/469/469879-38-7.png)
4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
TL;DR: 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 469879-38-7) is a chemical compound with molecular formula C23H24N6O4S2 and molecular weight 512.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, (Z)-4-(5-((2-((3-(1H-imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-{(5Z)-5-[(2-{[3-(1H-imidazol-1-yl)propyl]amino}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid, 4-[(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 4-{(5Z)-5-[(2-{[3-(1H-imidazol-1-yl)propyl]amino}-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}butanoic acid
| Molecular Formula | C23H24N6O4S2 |
|---|---|
| Molecular Weight | 512.13 g/mol |
| LogP | 2.76762 |
| Topological Polar Surface Area | 121.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 512.13007 |
| Heavy Atoms | 35 |
| Complexity | 1366.3337 |
Chemical Identifiers
| CAS Number | 469879-38-7 |
|---|---|
| SMILES | CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCCC(=O)O)NCCCN4C=CN=C4)C=C1 |
Product Overview
4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid (CAS 469879-38-7), with molecular formula C23H24N6O4S2 and molecular weight 512.13 g/mol. IUPAC: 4-[(5Z)-5-[[2-(3-imidazol-1-ylpropylamino)-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
Property Insights of 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid
The XLogP value of 2.76762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid. The TPSA of 121.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid. Following Lipinski's Rule of Five, 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The CAS number of 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 469879-38-7.
What is the molecular formula of 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular formula of 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is C23H24N6O4S2.
What is the molecular weight of 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
The molecular weight of 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid is 512.13 g/mol.
Where can I buy 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
You can request a quote for 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-((2-((3-(1H-Imidazol-1-yl)propyl)amino)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.