![(Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one structure](/static/products/853/853753-62-5.png)
(Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
TL;DR: (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one (CAS 853753-62-5) is a chemical compound with molecular formula C22H20N4O3S2 and molecular weight 452.10 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-(methylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, F3067-0453, (5Z)-3-[2-(4-methoxyphenyl)ethyl]-5-{[2-(methylamino)-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-(methylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-(methylamino)-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C22H20N4O3S2 |
|---|---|
| Molecular Weight | 452.10 g/mol |
| LogP | 3.1887 |
| Topological Polar Surface Area | 75.94 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.0977 |
| Heavy Atoms | 31 |
| Complexity | 1251.8408 |
Chemical Identifiers
| CAS Number | 853753-62-5 |
|---|---|
| SMILES | 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
(Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one (CAS 853753-62-5), with molecular formula C22H20N4O3S2 and molecular weight 452.10 g/mol. IUPAC: (5Z)-3-[2-(4-methoxyphenyl)ethyl]-5-[[2-(methylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
Property Insights of (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one
The XLogP value of 3.1887 indicates that (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-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 (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one. Following Lipinski's Rule of Five, (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-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 (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The CAS number of (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is 853753-62-5.
What is the molecular formula of (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular formula of (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is C22H20N4O3S2.
What is the molecular weight of (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
The molecular weight of (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one is 452.10 g/mol.
Where can I buy (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
You can request a quote for (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for (Z)-3-(4-methoxyphenethyl)-5-((2-(methylamino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.