![(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione structure](/static/products/3485/348576-79-4.webp)
(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione (CAS 348576-79-4) is a chemical compound with molecular formula C22H17FN4O3 and molecular weight 404.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione, (5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (E)-5-((2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl)methylene)-1-(2-fluorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-{[2,5-dimethyl-1-(pyridin-3-yl)-1H-pyrrol-3-yl]methylidene}-3-(2-fluorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C22H17FN4O3 |
|---|---|
| Molecular Weight | 404.13 g/mol |
| LogP | 3.29464 |
| Topological Polar Surface Area | 84.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 404.12848 |
| Heavy Atoms | 30 |
| Complexity | 1214.3755 |
Chemical Identifiers
| CAS Number | 348576-79-4 |
|---|---|
| SMILES | CC1=CC(=C(N1C2=CN=CC=C2)C)/C=C/3\C(=O)NC(=O)N(C3=O)C4=CC=CC=C4F |
Product Overview
(5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione (CAS 348576-79-4), with molecular formula C22H17FN4O3 and molecular weight 404.13 g/mol. IUPAC: (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione
The XLogP value of 3.29464 indicates that (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.3 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione has 1 hydrogen bond donor(s) and 4 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-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione is 348576-79-4.
What is the molecular formula of (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione is C22H17FN4O3.
What is the molecular weight of (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione is 404.13 g/mol.
Where can I buy (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-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-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(2,5-dimethyl-1-pyridin-3-ylpyrrol-3-yl)methylidene]-1-(2-fluorophenyl)-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.