(Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one
TL;DR: (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one (CAS 378774-59-5) is a chemical compound with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one, (5Z)-5-[(4-oxo-2-{[(oxolan-2-yl)methyl]amino}-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one, F1056-0091, (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one, 3-[(Z)-(4-oxo-3-propyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(tetrahydrofuran-2-ylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C20H22N4O3S2 |
|---|---|
| Molecular Weight | 430.11 g/mol |
| LogP | 2.8966 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.11334 |
| Heavy Atoms | 29 |
| Complexity | 1043.6884 |
Chemical Identifiers
| CAS Number | 378774-59-5 |
|---|---|
| SMILES | CCCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)NCC4CCCO4)/SC1=S |
Product Overview
(Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one (CAS 378774-59-5), with molecular formula C20H22N4O3S2 and molecular weight 430.11 g/mol. IUPAC: (5Z)-5-[[4-oxo-2-(oxolan-2-ylmethylamino)pyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one
Property Insights of (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one
The XLogP value of 2.8966 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one. The TPSA of 75.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-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 (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one?
The CAS number of (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one is 378774-59-5.
What is the molecular formula of (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one is C20H22N4O3S2.
What is the molecular weight of (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one is 430.11 g/mol.
Where can I buy (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-5-((4-oxo-2-(((tetrahydrofuran-2-yl)methyl)amino)-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-propyl-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.