![3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/4881/488136-57-8.webp)
3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 488136-57-8) is a chemical compound with molecular formula C25H31N5O3S2 and molecular weight 513.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-cyclohexyl-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-cyclohexyl-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-cyclohexyl-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-cyclohexyl-5-({2-[4-(2-hydroxyethyl)piperazinyl]-7-methyl-4-oxo(5-hydropyrid ino[1,2-a]pyrimidin-3-yl)}methylene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C25H31N5O3S2 |
|---|---|
| Molecular Weight | 513.19 g/mol |
| LogP | 2.65112 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 513.1868 |
| Heavy Atoms | 35 |
| Complexity | 1229.5681 |
Chemical Identifiers
| CAS Number | 488136-57-8 |
|---|---|
| SMILES | CC1=CN2C(=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)C4CCCCC4)N5CCN(CC5)CCO)C=C1 |
Product Overview
3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 488136-57-8), with molecular formula C25H31N5O3S2 and molecular weight 513.19 g/mol. IUPAC: (5Z)-3-cyclohexyl-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 2.65112 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one. The TPSA of 81.39 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is 488136-57-8.
What is the molecular formula of 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is C25H31N5O3S2.
What is the molecular weight of 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is 513.19 g/mol.
Where can I buy 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-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-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[4-(2-hydroxyethyl)piperazin-1-yl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.