![(5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/444/444589-43-9.png)
(5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 444589-43-9) is a chemical compound with molecular formula C23H18FN3O3 and molecular weight 403.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, (E)-5-((1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl)methylene)-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione, (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-hydroxy-1-phenylpyrimidine-4,6(1H,5H)-dione
| Molecular Formula | C23H18FN3O3 |
|---|---|
| Molecular Weight | 403.13 g/mol |
| LogP | 3.89964 |
| Topological Polar Surface Area | 71.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 403.1332 |
| Heavy Atoms | 30 |
| Complexity | 1211.6862 |
Chemical Identifiers
| CAS Number | 444589-43-9 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CC(=CC=C2)F)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=CC=C4 |
Product Overview
(5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione (CAS 444589-43-9), with molecular formula C23H18FN3O3 and molecular weight 403.13 g/mol. IUPAC: (5E)-5-[[1-(3-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylidene]-1-phenyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.89964 indicates that (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-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 (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is 444589-43-9.
What is the molecular formula of (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is C23H18FN3O3.
What is the molecular weight of (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione is 403.13 g/mol.
Where can I buy (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-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 (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-{[1-(3-fluorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-phenylpyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.