![(Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one structure](/static/products/4985/498571-35-0.webp)
(Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
TL;DR: (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one (CAS 498571-35-0) 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-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, F1425-0205, (5Z)-3-ethyl-5-({2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-ethyl-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-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]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C21H25N5O3S2 |
|---|---|
| Molecular Weight | 459.14 g/mol |
| LogP | 1.33832 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 459.1399 |
| Heavy Atoms | 31 |
| Complexity | 1121.9309 |
Chemical Identifiers
| CAS Number | 498571-35-0 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)CCO)/SC1=S |
Product Overview
(Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one (CAS 498571-35-0), with molecular formula C21H25N5O3S2 and molecular weight 459.14 g/mol. IUPAC: (5Z)-3-ethyl-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
Property Insights of (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
The XLogP value of 1.33832 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one. The TPSA of 81.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-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 (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The CAS number of (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is 498571-35-0.
What is the molecular formula of (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is C21H25N5O3S2.
What is the molecular weight of (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is 459.14 g/mol.
Where can I buy (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-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)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-ethyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.