![3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one structure](/static/products/844/844663-73-6.png)
3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one
TL;DR: 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one (CAS 844663-73-6) is a chemical compound with molecular formula C21H14FN3O3S2 and molecular weight 439.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[[2-(4-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Also Known As: 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one, (5Z)-5-[[2-(4-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one, (5Z)-5-{[2-(4-FLUOROPHENOXY)-4-OXO-4H-PYRIDO[1,2-A]PYRIMIDIN-3-YL]METHYLIDENE}-3-(PROP-2-EN-1-YL)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-4-ONE, (Z)-3-allyl-5-((2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl)methylene)-2-thioxothiazolidin-4-one, 2-(4-fluorophenoxy)-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
| Molecular Formula | C21H14FN3O3S2 |
|---|---|
| Molecular Weight | 439.05 g/mol |
| LogP | 4.0131 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 439.04605 |
| Heavy Atoms | 30 |
| Complexity | 1268.7219 |
Chemical Identifiers
| CAS Number | 844663-73-6 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C/C2=C(N=C3C=CC=CN3C2=O)OC4=CC=C(C=C4)F)/SC1=S |
Product Overview
3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one (CAS 844663-73-6), with molecular formula C21H14FN3O3S2 and molecular weight 439.05 g/mol. IUPAC: (5Z)-5-[[2-(4-fluorophenoxy)-4-oxopyrido[1,2-a]pyrimidin-3-yl]methylidene]-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one.
Chemical Property Profile of 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one
Property Insights of 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one
The XLogP value of 4.0131 indicates that 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one. Following Lipinski's Rule of Five, 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one has 0 hydrogen bond donor(s) and 6 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-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one?
The CAS number of 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one is 844663-73-6.
What is the molecular formula of 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one?
The molecular formula of 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one is C21H14FN3O3S2.
What is the molecular weight of 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one?
The molecular weight of 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one is 439.05 g/mol.
Where can I buy 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one?
You can request a quote for 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-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-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one?
Yes, KEHONG BIO provides custom synthesis services for 3-allyl-5-{(Z)-1-[2-(4-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-2-thioxo-1,3-thiazolan-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.