![1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/586/586993-34-2.png)
1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione
TL;DR: 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione (CAS 586993-34-2) is a chemical compound with molecular formula C16H18FN3O3 and molecular weight 319.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-butyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione, (E)-1-butyl-5-(1-((3-fluorophenyl)amino)ethylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-3-butyl-5-{1-[(3-fluorophenyl)amino]ethylidene}-6-hydroxypyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C16H18FN3O3 |
|---|---|
| Molecular Weight | 319.13 g/mol |
| LogP | 2.3221 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 319.1332 |
| Heavy Atoms | 23 |
| Complexity | 852.37946 |
Chemical Identifiers
| CAS Number | 586993-34-2 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C(=NC2=CC(=CC=C2)F)C)O |
Product Overview
1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione (CAS 586993-34-2), with molecular formula C16H18FN3O3 and molecular weight 319.13 g/mol. IUPAC: 1-butyl-5-[N-(3-fluorophenyl)-C-methylcarbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione
Property Insights of 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 2.3221 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione has 2 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 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione is 586993-34-2.
What is the molecular formula of 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione is C16H18FN3O3.
What is the molecular weight of 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione is 319.13 g/mol.
Where can I buy 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-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 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 1-butyl-5-[1-(3-fluoroanilino)ethylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.