![(E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one structure](/static/products/797/797774-07-3.png)
(E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one
TL;DR: (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one (CAS 797774-07-3) is a chemical compound with molecular formula C27H36N4O2S2 and molecular weight 512.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[2-(3,5-dimethylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one, (5E)-5-[[2-(3,5-dimethylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C27H36N4O2S2 |
|---|---|
| Molecular Weight | 512.23 g/mol |
| LogP | 5.7385 |
| Topological Polar Surface Area | 57.92 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 512.22797 |
| Heavy Atoms | 35 |
| Complexity | 1165.4707 |
Chemical Identifiers
| CAS Number | 797774-07-3 |
|---|---|
| SMILES | CCCCCCCCN1C(=O)/C(=C\C2=C(N=C3C=CC=CN3C2=O)N4CC(CC(C4)C)C)/SC1=S |
Product Overview
(E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one (CAS 797774-07-3), with molecular formula C27H36N4O2S2 and molecular weight 512.23 g/mol. IUPAC: (5E)-5-[[2-(3,5-dimethylpiperidin-1-yl)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one
Property Insights of (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one
The XLogP value of 5.7385 indicates that (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.92 Ų, (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one?
The CAS number of (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one is 797774-07-3.
What is the molecular formula of (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one?
The molecular formula of (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one is C27H36N4O2S2.
What is the molecular weight of (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one?
The molecular weight of (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one is 512.23 g/mol.
Where can I buy (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one?
You can request a quote for (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-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 (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-((2-(3,5-dimethylpiperidin-1-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.