![(Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid structure](/static/products/4319/431997-50-1.webp)
(Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
TL;DR: (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 431997-50-1) is a chemical compound with molecular formula C20H16N4O5S2 and molecular weight 456.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, AB00117154-01, F1260-1579, 3-[(5Z)-5-[(2-{[(furan-2-yl)methyl]amino}-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid, 3-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C20H16N4O5S2 |
|---|---|
| Molecular Weight | 456.06 g/mol |
| LogP | 2.5755 |
| Topological Polar Surface Area | 117.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 456.0562 |
| Heavy Atoms | 31 |
| Complexity | 1266.3109 |
Chemical Identifiers
| CAS Number | 431997-50-1 |
|---|---|
| SMILES | C1=CC2=NC(=C(C(=O)N2C=C1)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O)NCC4=CC=CO4 |
Product Overview
(Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid (CAS 431997-50-1), with molecular formula C20H16N4O5S2 and molecular weight 456.06 g/mol. IUPAC: 3-[(5Z)-5-[[2-(furan-2-ylmethylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
Property Insights of (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid
The XLogP value of 2.5755 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid. The TPSA of 117.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid. Following Lipinski's Rule of Five, (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The CAS number of (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 431997-50-1.
What is the molecular formula of (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular formula of (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is C20H16N4O5S2.
What is the molecular weight of (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
The molecular weight of (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid is 456.06 g/mol.
Where can I buy (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
You can request a quote for (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(5-((2-((furan-2-ylmethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.