![(E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid structure](/static/products/608/608495-61-0.png)
(E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
TL;DR: (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (CAS 608495-61-0) is a chemical compound with molecular formula C25H22FN5O4S2 and molecular weight 539.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, 2-[(5E)-5-({2-[4-(4-FLUOROPHENYL)PIPERAZIN-1-YL]-9-METHYL-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETIC ACID, 2-[(5E)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C25H22FN5O4S2 |
|---|---|
| Molecular Weight | 539.11 g/mol |
| LogP | 2.75442 |
| Topological Polar Surface Area | 98.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 539.10974 |
| Heavy Atoms | 37 |
| Complexity | 1513.9911 |
Chemical Identifiers
| CAS Number | 608495-61-0 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O)N4CCN(CC4)C5=CC=C(C=C5)F |
Product Overview
(E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid (CAS 608495-61-0), with molecular formula C25H22FN5O4S2 and molecular weight 539.11 g/mol. IUPAC: 2-[(5E)-5-[[2-[4-(4-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
Property Insights of (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid
The XLogP value of 2.75442 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid. The TPSA of 98.46 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid. Following Lipinski's Rule of Five, (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid 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)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The CAS number of (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is 608495-61-0.
What is the molecular formula of (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The molecular formula of (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is C25H22FN5O4S2.
What is the molecular weight of (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
The molecular weight of (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid is 539.11 g/mol.
Where can I buy (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
You can request a quote for (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-(5-((2-(4-(4-fluorophenyl)piperazin-1-yl)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.