(5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 690964-00-2) is a chemical compound with molecular formula C18H12ClFN2O3 and molecular weight 358.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-(3-chloro-4-methylphenyl)-5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-1-(3-chloro-4-methylphenyl)-5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C18H12ClFN2O3 |
|---|---|
| Molecular Weight | 358.05 g/mol |
| LogP | 3.45392 |
| Topological Polar Surface Area | 66.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 358.05206 |
| Heavy Atoms | 25 |
| Complexity | 922.41846 |
Chemical Identifiers
| CAS Number | 690964-00-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C\C3=CC=C(C=C3)F)/C(=O)NC2=O)Cl |
Product Overview
(5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 690964-00-2), with molecular formula C18H12ClFN2O3 and molecular weight 358.05 g/mol. IUPAC: (5Z)-1-(3-chloro-4-methylphenyl)-5-[(4-fluorophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.45392 indicates that (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.48 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 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 (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 690964-00-2.
What is the molecular formula of (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C18H12ClFN2O3.
What is the molecular weight of (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 358.05 g/mol.
Where can I buy (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-1-(3-chloro-4-methylphenyl)-5-(4-fluorobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.