TL;DR: 3-[(Z)-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-(PHENYLSULFANYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE (CAS 608491-01-6) is a chemical compound with molecular formula C22H19N3O2S3 and molecular weight 453.06393 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(5Z)-5-[(9-methyl-4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[(Z)-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-(PHENYLSULFANYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, (Z)-3-isopropyl-5-((9-methyl-4-oxo-2-(phenylthio)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-5-[(9-methyl-4-oxo-2-phenylsulfanylpyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-propan-2-yl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[9-METHYL-4-OXO-2-(PHENYLSULFANYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-3-(PROPAN-2-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, 9-methyl-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-(phenylsulfanyl)-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C22H19N3O2S3 |
| Molecular Weight | 453.06393 g/mol |
| XLogP | 4.6 |
| Topological Polar Surface Area (TPSA) | 136.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.06393 Da |
| Heavy Atoms | 30 |
| Complexity | 953.0 |
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C(C)C)SC4=CC=CC=C4 |
| InChIKey | ABRDHBGUGNPMMN-ATVHPVEESA-N |
The XLogP value of 4.6 indicates that 3-[(Z)-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-(PHENYLSULFANYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Z)-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-(PHENYLSULFANYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE. Following Lipinski's Rule of Five, 3-[(Z)-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-(PHENYLSULFANYL)-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.
The CAS number of 3-[(Z)-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-(PHENYLSULFANYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE is 608491-01-6.
The molecular formula of 3-[(Z)-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-(PHENYLSULFANYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE is C22H19N3O2S3.
The molecular weight of 3-[(Z)-(3-ISOPROPYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-(PHENYLSULFANYL)-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE is 453.06393 g/mol.
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