5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 5963-90-6) is a chemical compound with molecular formula C18H13FN2O3 and molecular weight 324.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(4-fluorophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: BIM-0039381.P001, (5Z)-5-[(4-fluorophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione, 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
| Molecular Formula | C18H13FN2O3 |
|---|---|
| Molecular Weight | 324.09 g/mol |
| LogP | 2.80052 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.09103 |
| Heavy Atoms | 24 |
| Complexity | 872.0875 |
Chemical Identifiers
| CAS Number | 5963-90-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)F)/C(=O)NC2=O |
Product Overview
5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 5963-90-6), with molecular formula C18H13FN2O3 and molecular weight 324.09 g/mol. IUPAC: (5Z)-5-[(4-fluorophenyl)methylidene]-1-(3-methylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 2.80052 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione has 1 hydrogen bond donor(s) and 3 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 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 5963-90-6.
What is the molecular formula of 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is C18H13FN2O3.
What is the molecular weight of 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione is 324.09 g/mol.
Where can I buy 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-fluorobenzylidene)-1-(3-methylphenyl)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.