![(E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one structure](/static/products/797/797798-35-7.png)
(E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one
TL;DR: (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one (CAS 797798-35-7) is a chemical compound with molecular formula C27H37N5O3S2 and molecular weight 543.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one, (5E)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-octyl-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C27H37N5O3S2 |
|---|---|
| Molecular Weight | 543.23 g/mol |
| LogP | 3.67892 |
| Topological Polar Surface Area | 81.39 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 11 |
| Exact Mass | 543.23376 |
| Heavy Atoms | 37 |
| Complexity | 1220.4785 |
Chemical Identifiers
| CAS Number | 797798-35-7 |
|---|---|
| SMILES | CCCCCCCCN1C(=O)/C(=C\C2=C(N=C3C(=CC=CN3C2=O)C)N4CCN(CC4)CCO)/SC1=S |
Product Overview
(E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one (CAS 797798-35-7), with molecular formula C27H37N5O3S2 and molecular weight 543.23 g/mol. IUPAC: (5E)-5-[[2-[4-(2-hydroxyethyl)piperazin-1-yl]-9-methyl-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-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one
Property Insights of (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one
The XLogP value of 3.67892 indicates that (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-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. The TPSA of 81.39 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-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 (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one?
The CAS number of (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one is 797798-35-7.
What is the molecular formula of (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one?
The molecular formula of (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one is C27H37N5O3S2.
What is the molecular weight of (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one?
The molecular weight of (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-octyl-2-thioxothiazolidin-4-one is 543.23 g/mol.
Where can I buy (E)-5-((2-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-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-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-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-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-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-(4-(2-hydroxyethyl)piperazin-1-yl)-9-methyl-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.