5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 340802-71-3) is a chemical compound with molecular formula C21H18ClFN2O5 and molecular weight 432.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione, 5-{3-chloro-4-[(4-fluorobenzyl)oxy]-5-methoxybenzylidene}-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C21H18ClFN2O5 |
|---|---|
| Molecular Weight | 432.09 g/mol |
| LogP | 3.5005 |
| Topological Polar Surface Area | 76.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 432.08884 |
| Heavy Atoms | 30 |
| Complexity | 1026.1074 |
Chemical Identifiers
| CAS Number | 340802-71-3 |
|---|---|
| SMILES | CN1C(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)F)OC)C(=O)N(C1=O)C |
Product Overview
5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 340802-71-3), with molecular formula C21H18ClFN2O5 and molecular weight 432.09 g/mol. IUPAC: 5-[[3-chloro-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methylidene]-1,3-dimethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.5005 indicates that 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione has 0 hydrogen bond donor(s) and 5 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-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 340802-71-3.
What is the molecular formula of 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is C21H18ClFN2O5.
What is the molecular weight of 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione is 432.09 g/mol.
Where can I buy 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-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 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-chloro-4-((4-fluorobenzyl)oxy)-5-methoxybenzylidene)-1,3-dimethylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.