2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 488123-26-8) is a chemical compound with molecular formula C24H24N4O5S2 and molecular weight 512.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one, (5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one, (Z)-5-((2-((2-(2-hydroxyethoxy)ethyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(4-methoxybenzyl)-2-thioxothiazolidin-4-one, 5-[(2-{[2-(2-hydroxyethoxy)ethyl]amino}-4-oxo(5-hydropyridino[1,2-a]pyrimidin- 3-yl))methylene]-3-[(4-methoxyphenyl)methyl]-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C24H24N4O5S2 |
|---|---|
| Molecular Weight | 512.12 g/mol |
| LogP | 2.5253 |
| Topological Polar Surface Area | 105.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 512.11884 |
| Heavy Atoms | 35 |
| Complexity | 1323.7341 |
Chemical Identifiers
| CAS Number | 488123-26-8 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)NCCOCCO)/SC2=S |
Product Overview
2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 488123-26-8), with molecular formula C24H24N4O5S2 and molecular weight 512.12 g/mol. IUPAC: (5Z)-5-[[2-[2-(2-hydroxyethoxy)ethylamino]-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-[(4-methoxyphenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 2.5253 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one. The TPSA of 105.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one has 2 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 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is 488123-26-8.
What is the molecular formula of 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is C24H24N4O5S2.
What is the molecular weight of 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one is 512.12 g/mol.
Where can I buy 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-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 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(2-hydroxyethoxy)ethyl]amino}-3-{(Z)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.