![3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/489/489443-01-8.png)
3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 489443-01-8) is a chemical compound with molecular formula C23H29N5O2S2 and molecular weight 471.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-butan-2-yl-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-3-(sec-butyl)-5-((2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, (5Z)-3-(BUTAN-2-YL)-5-{[2-(4-ETHYLPIPERAZIN-1-YL)-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-butan-2-yl-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-((Z)-(3-SEC-BUTYL-4-OXO-2-THIOXO-1,3-THIAZOLIDIN-5-YLIDENE)METHYL)-2-(4-ETHYL-1-PIPERAZINYL)-9-METHYL-4H-PYRIDO(1,2-A)PYRIMIDIN-4-ONE
| Molecular Formula | C23H29N5O2S2 |
|---|---|
| Molecular Weight | 471.18 g/mol |
| LogP | 3.14452 |
| Topological Polar Surface Area | 61.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.17627 |
| Heavy Atoms | 32 |
| Complexity | 1151.0164 |
Chemical Identifiers
| CAS Number | 489443-01-8 |
|---|---|
| SMILES | CCC(C)N1C(=O)/C(=C/C2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)CC)/SC1=S |
Product Overview
3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 489443-01-8), with molecular formula C23H29N5O2S2 and molecular weight 471.18 g/mol. IUPAC: (5Z)-3-butan-2-yl-5-[[2-(4-ethylpiperazin-1-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 3.14452 indicates that 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.16 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one has 0 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 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is 489443-01-8.
What is the molecular formula of 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is C23H29N5O2S2.
What is the molecular weight of 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one is 471.18 g/mol.
Where can I buy 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-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-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Z)-(3-sec-butyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(4-ethyl-1-piperazinyl)-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.