![3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE structure](/static/products/4425/442565-77-7.webp)
3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
TL;DR: 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE (CAS 442565-77-7) is a chemical compound with molecular formula C21H25N5O3S2 and molecular weight 459.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-ethyl-5-[[9-methyl-2-(2-morpholin-4-ylethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE, (Z)-3-ethyl-5-((9-methyl-2-((2-morpholinoethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-ETHYL-5-[(9-METHYL-2-{[2-(MORPHOLIN-4-YL)ETHYL]AMINO}-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL)METHYLIDENE]-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-ethyl-5-[[9-methyl-2-(2-morpholin-4-ylethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-[(Z)-(3-ethyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-{[2-(morpholin-4-yl)ethyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C21H25N5O3S2 |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 1.96812 |
| Topological Polar Surface Area | 79.18 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 459.1399 |
| Heavy Atoms | 31 |
| Complexity | 1108.1226 |
Chemical Identifiers
| CAS Number | 442565-77-7 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)NCCN4CCOCC4)/SC1=S |
Product Overview
3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE (CAS 442565-77-7), with molecular formula C21H25N5O3S2 and molecular weight 459.14 g/mol. IUPAC: (5Z)-3-ethyl-5-[[9-methyl-2-(2-morpholin-4-ylethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
Property Insights of 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE
The XLogP value of 1.96812 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE. The TPSA of 79.18 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE. Following Lipinski's Rule of Five, 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE has 1 hydrogen bond donor(s) and 8 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 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE?
The CAS number of 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE is 442565-77-7.
What is the molecular formula of 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE?
The molecular formula of 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE is C21H25N5O3S2.
What is the molecular weight of 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE?
The molecular weight of 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE is 459.14 g/mol.
Where can I buy 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE?
You can request a quote for 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-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 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Z)-(3-ETHYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL]-9-METHYL-2-{[2-(4-MORPHOLINYL)ETHYL]AMINO}-4H-PYRIDO[1,2-A]PYRIMIDIN-4-ONE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.