![5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione structure](/static/products/4850/4850-04-8.webp)
5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
TL;DR: 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione (CAS 4850-04-8) is a chemical compound with molecular formula C27H26FN3O4 and molecular weight 475.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione, 5-[(1-{2-[4-(Butan-2-yl)phenoxy]ethyl}-1H-pyrrol-2-yl)methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C27H26FN3O4 |
|---|---|
| Molecular Weight | 475.19 g/mol |
| LogP | 4.8861 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 475.19073 |
| Heavy Atoms | 35 |
| Complexity | 1262.3384 |
Chemical Identifiers
| CAS Number | 4850-04-8 |
|---|---|
| SMILES | CCC(C)C1=CC=C(C=C1)OCCN2C=CC=C2C=C3C(=O)NC(=O)N(C3=O)C4=CC=C(C=C4)F |
Product Overview
5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione (CAS 4850-04-8), with molecular formula C27H26FN3O4 and molecular weight 475.19 g/mol. IUPAC: 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
Property Insights of 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione
The XLogP value of 4.8861 indicates that 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-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 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The CAS number of 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione is 4850-04-8.
What is the molecular formula of 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione is C27H26FN3O4.
What is the molecular weight of 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione is 475.19 g/mol.
Where can I buy 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-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 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[[1-[2-(4-butan-2-ylphenoxy)ethyl]pyrrol-2-yl]methylidene]-1-(4-fluorophenyl)-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.