![3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/442/442552-28-5.png)
3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 442552-28-5) is a chemical compound with molecular formula C26H26N4O5S2 and molecular weight 538.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-3-[2-(3,4-DIMETHOXYPHENYL)ETHYL]-5-{[2-(MORPHOLIN-4-YL)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (Z)-3-(3,4-dimethoxyphenethyl)-5-((2-morpholino-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, 3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-2-(morpholin-4-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C26H26N4O5S2 |
|---|---|
| Molecular Weight | 538.13 g/mol |
| LogP | 2.9922 |
| Topological Polar Surface Area | 85.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 538.13446 |
| Heavy Atoms | 37 |
| Complexity | 1448.643 |
Chemical Identifiers
| CAS Number | 442552-28-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)N5CCOCC5)/SC2=S)OC |
Product Overview
3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 442552-28-5), with molecular formula C26H26N4O5S2 and molecular weight 538.13 g/mol. IUPAC: (5Z)-3-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(2-morpholin-4-yl-4-oxopyrido[1,2-a]pyrimidin-3-yl)methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 2.9922 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one. The TPSA of 85.61 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one has 0 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one is 442552-28-5.
What is the molecular formula of 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one is C26H26N4O5S2.
What is the molecular weight of 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one is 538.13 g/mol.
Where can I buy 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-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-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-((Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl)-2-morpholin-4-yl-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.