![3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one structure](/static/products/499/499115-85-4.png)
3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
TL;DR: 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 499115-85-4) is a chemical compound with molecular formula C25H21ClN6O2S2 and molecular weight 536.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one, (Z)-5-((2-((3-(1H-imidazol-1-yl)propyl)amino)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-3-(2-chlorobenzyl)-2-thioxothiazolidin-4-one, (5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one, 3-[(2-chlorophenyl)methyl]-5-({2-[(3-imidazolylpropyl)amino]-4-oxo(5-hydropyri dino[1,2-a]pyrimidin-3-yl)}methylene)-2-thioxo-1,3-thiazolidin-4-one
| Molecular Formula | C25H21ClN6O2S2 |
|---|---|
| Molecular Weight | 536.09 g/mol |
| LogP | 4.448 |
| Topological Polar Surface Area | 84.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 536.0856 |
| Heavy Atoms | 36 |
| Complexity | 1533.3467 |
Chemical Identifiers
| CAS Number | 499115-85-4 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=O)/C(=C/C3=C(N=C4C=CC=CN4C3=O)NCCCN5C=CN=C5)/SC2=S)Cl |
Product Overview
3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one (CAS 499115-85-4), with molecular formula C25H21ClN6O2S2 and molecular weight 536.09 g/mol. IUPAC: (5Z)-3-[(2-chlorophenyl)methyl]-5-[[2-(3-imidazol-1-ylpropylamino)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
Property Insights of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one
The XLogP value of 4.448 indicates that 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]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 84.53 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one. Following Lipinski's Rule of Five, 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one has 1 hydrogen bond donor(s) and 7 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-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one?
The CAS number of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one is 499115-85-4.
What is the molecular formula of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular formula of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one is C25H21ClN6O2S2.
What is the molecular weight of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one?
The molecular weight of 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one is 536.09 g/mol.
Where can I buy 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one?
You can request a quote for 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]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-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-{(Z)-[3-(2-chlorobenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-{[3-(1H-imidazol-1-yl)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.