![3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/799/799770-85-7.png)
3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 799770-85-7) is a chemical compound with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-(2-methylpropyl)-5-[(4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-3-(2-METHYLPROPYL)-5-({4-OXO-2-PHENOXY-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-(2-methylpropyl)-5-[(4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-3-isobutyl-5-((4-oxo-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
| Molecular Formula | C22H19N3O3S2 |
|---|---|
| Molecular Weight | 437.09 g/mol |
| LogP | 4.344 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.0868 |
| Heavy Atoms | 30 |
| Complexity | 1219.2749 |
Chemical Identifiers
| CAS Number | 799770-85-7 |
|---|---|
| SMILES | CC(C)CN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)OC4=CC=CC=C4)/SC1=S |
Product Overview
3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 799770-85-7), with molecular formula C22H19N3O3S2 and molecular weight 437.09 g/mol. IUPAC: (5Z)-3-(2-methylpropyl)-5-[(4-oxo-2-phenoxypyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 4.344 indicates that 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one has 0 hydrogen bond donor(s) and 6 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 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one is 799770-85-7.
What is the molecular formula of 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one is C22H19N3O3S2.
What is the molecular weight of 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one is 437.09 g/mol.
Where can I buy 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{(Z)-[3-(2-methylpropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-phenoxy-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.