![5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid structure](/static/products/6076/607693-72-1.webp)
5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid
TL;DR: 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid (CAS 607693-72-1) is a chemical compound with molecular formula C28H27N5O6S2 and molecular weight 593.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid, 3-[5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C28H27N5O6S2 |
|---|---|
| Molecular Weight | 593.14 g/mol |
| LogP | 2.72972 |
| Topological Polar Surface Area | 116.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 593.14026 |
| Heavy Atoms | 41 |
| Complexity | 1663.6511 |
Chemical Identifiers
| CAS Number | 607693-72-1 |
|---|---|
| SMILES | CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(=O)O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6)C=C1 |
Product Overview
5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid (CAS 607693-72-1), with molecular formula C28H27N5O6S2 and molecular weight 593.14 g/mol. IUPAC: 3-[5-[[2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-7-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid
Property Insights of 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid
The XLogP value of 2.72972 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid. The TPSA of 116.92 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid. Following Lipinski's Rule of Five, 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid?
The CAS number of 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid is 607693-72-1.
What is the molecular formula of 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid?
The molecular formula of 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid is C28H27N5O6S2.
What is the molecular weight of 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid?
The molecular weight of 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid is 593.14 g/mol.
Where can I buy 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid?
You can request a quote for 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-[[2-[4-(1,3-Benzodioxol-5-ylmethyl)-1-piperazinyl]-7-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylene]-4-oxo-2-thioxo-3-thiazolidinepropanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.