TL;DR: 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 4-oxo-9-((3-thiazolidinylcarbonyl)thio)-, ethyl ester (CAS 125209-40-7) is a chemical compound with molecular formula C15H15N3O4S2 and molecular weight 365.05038 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 4-oxo-9-(1,3-thiazolidine-3-carbonylsulfanyl)pyrido[1,2-a]pyrimidine-3-carboxylate
Also Known As: 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 4-oxo-9-((3-thiazolidinylcarbonyl)thio)-, ethyl ester, ethyl 4-oxo-9-(1,3-thiazolidine-3-carbonylsulfanyl)pyrido[1,2-a]pyrimidine-3-carboxylate, ethyl 4-oxo-9-(1,3-thiazolidine-3-carbonylsulfanyl)pyrido[1,, 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 4-oxo-9-((3-thiazolidiny lcarbonyl)thio)-, ethyl ester, 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid,4-oxo-9-((3-thiazolidinylcarbonyl)thio)-,ethyl ester
| Molecular Formula | C15H15N3O4S2 |
| Molecular Weight | 365.05038 g/mol |
| XLogP | 1.8 |
| Topological Polar Surface Area (TPSA) | 130.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 365.05038 Da |
| Heavy Atoms | 24 |
| Complexity | 712.0 |
| SMILES | CCOC(=O)C1=CN=C2C(=CC=CN2C1=O)SC(=O)N3CCSC3 |
| InChIKey | QVYIISQMAVQECY-UHFFFAOYSA-N |
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 4-oxo-9-((3-thiazolidinylcarbonyl)thio)-, ethyl ester. The TPSA of 130.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 4-oxo-9-((3-thiazolidinylcarbonyl)thio)-, ethyl ester. Following Lipinski's Rule of Five, 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 4-oxo-9-((3-thiazolidinylcarbonyl)thio)-, ethyl ester has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
The CAS number of 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 4-oxo-9-((3-thiazolidinylcarbonyl)thio)-, ethyl ester is 125209-40-7.
The molecular formula of 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 4-oxo-9-((3-thiazolidinylcarbonyl)thio)-, ethyl ester is C15H15N3O4S2.
The molecular weight of 4H-Pyrido(1,2-a)pyrimidine-3-carboxylic acid, 4-oxo-9-((3-thiazolidinylcarbonyl)thio)-, ethyl ester is 365.05038 g/mol.
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