![3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid structure](/static/products/714/714921-52-5.png)
3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
TL;DR: 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid (CAS 714921-52-5) is a chemical compound with molecular formula C24H22N4O5S2 and molecular weight 510.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid, (Z)-3-(5-((2-((2-hydroxy-2-phenylethyl)amino)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-4-oxo-2-thioxothiazolidin-3-yl)propanoic acid, 3-[(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C24H22N4O5S2 |
|---|---|
| Molecular Weight | 510.10 g/mol |
| LogP | 2.82432 |
| Topological Polar Surface Area | 124.24 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 510.10315 |
| Heavy Atoms | 35 |
| Complexity | 1404.285 |
Chemical Identifiers
| CAS Number | 714921-52-5 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC(=C(C2=O)/C=C\3/C(=O)N(C(=S)S3)CCC(=O)O)NCC(C4=CC=CC=C4)O |
Product Overview
3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid (CAS 714921-52-5), with molecular formula C24H22N4O5S2 and molecular weight 510.10 g/mol. IUPAC: 3-[(5Z)-5-[[2-[(2-hydroxy-2-phenylethyl)amino]-9-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 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Property Insights of 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
The XLogP value of 2.82432 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid. The TPSA of 124.24 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid. Following Lipinski's Rule of Five, 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid has 3 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 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The CAS number of 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is 714921-52-5.
What is the molecular formula of 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The molecular formula of 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is C24H22N4O5S2.
What is the molecular weight of 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
The molecular weight of 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid is 510.10 g/mol.
Where can I buy 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
You can request a quote for 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-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 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(5Z)-5-({2-[(2-hydroxy-2-phenylethyl)amino]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.