![(E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one structure](/static/products/608/608495-49-4.png)
(E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one
TL;DR: (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one (CAS 608495-49-4) is a chemical compound with molecular formula C27H28FN5O2S2 and molecular weight 537.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one, (5E)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
| Molecular Formula | C27H28FN5O2S2 |
|---|---|
| Molecular Weight | 537.17 g/mol |
| LogP | 4.32582 |
| Topological Polar Surface Area | 61.16 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 537.1669 |
| Heavy Atoms | 37 |
| Complexity | 1460.1382 |
Chemical Identifiers
| CAS Number | 608495-49-4 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C/3\C(=O)N(C(=S)S3)CC(C)C)N4CCN(CC4)C5=CC=C(C=C5)F |
Product Overview
(E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one (CAS 608495-49-4), with molecular formula C27H28FN5O2S2 and molecular weight 537.17 g/mol. IUPAC: (5E)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one
Property Insights of (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one
The XLogP value of 4.32582 indicates that (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-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 (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one has 0 hydrogen bond donor(s) and 7 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-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one?
The CAS number of (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one is 608495-49-4.
What is the molecular formula of (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one?
The molecular formula of (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one is C27H28FN5O2S2.
What is the molecular weight of (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one?
The molecular weight of (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one is 537.17 g/mol.
Where can I buy (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one?
You can request a quote for (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-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-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-isobutyl-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.