![3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/608/608496-91-9.png)
3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 608496-91-9) is a chemical compound with molecular formula C25H26N4O3S2 and molecular weight 494.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[2-(4-methoxyphenyl)ethyl]-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-3-[2-(4-METHOXYPHENYL)ETHYL]-5-({2-[(2-METHYLPROPYL)AMINO]-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL}METHYLIDENE)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (5Z)-3-[2-(4-methoxyphenyl)ethyl]-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((2-(isobutylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(4-methoxyphenethyl)-2-thioxothiazolidin-4-one
| Molecular Formula | C25H26N4O3S2 |
|---|---|
| Molecular Weight | 494.14 g/mol |
| LogP | 4.2149 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.14462 |
| Heavy Atoms | 34 |
| Complexity | 1315.9805 |
Chemical Identifiers
| CAS Number | 608496-91-9 |
|---|---|
| SMILES | CC(C)CNC1=C(C(=O)N2C=CC=CC2=N1)/C=C\3/C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC |
Product Overview
3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 608496-91-9), with molecular formula C25H26N4O3S2 and molecular weight 494.14 g/mol. IUPAC: (5Z)-3-[2-(4-methoxyphenyl)ethyl]-5-[[2-(2-methylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 4.2149 indicates that 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.94 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one has 1 hydrogen bond donor(s) and 7 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-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is 608496-91-9.
What is the molecular formula of 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is C25H26N4O3S2.
What is the molecular weight of 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one is 494.14 g/mol.
Where can I buy 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-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-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-[(2-methylpropyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.