(E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577697-93-9) is a chemical compound with molecular formula C16H16FN3O3 and molecular weight 317.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[C-ethyl-N-(3-fluorophenyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione
Also Known As: (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-[1-(3-fluoroanilino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, 5-[1-(3-fluoroanilino)propylidene]-1-prop-2-enyl-1,3-diazinane-2,4,6-trione, (5E)-5-{1-[(3-fluorophenyl)amino]propylidene}-6-hydroxy-3-(prop-2-en-1-yl)pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C16H16FN3O3 |
|---|---|
| Molecular Weight | 317.12 g/mol |
| LogP | 2.0981 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.11758 |
| Heavy Atoms | 23 |
| Complexity | 880.8697 |
Chemical Identifiers
| CAS Number | 577697-93-9 |
|---|---|
| SMILES | CCC(=NC1=CC(=CC=C1)F)C2=C(N(C(=O)NC2=O)CC=C)O |
Product Overview
(E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 577697-93-9), with molecular formula C16H16FN3O3 and molecular weight 317.12 g/mol. IUPAC: 5-[C-ethyl-N-(3-fluorophenyl)carbonimidoyl]-6-hydroxy-1-prop-2-enylpyrimidine-2,4-dione.
Chemical Property Profile of (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.0981 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-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 (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 577697-93-9.
What is the molecular formula of (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C16H16FN3O3.
What is the molecular weight of (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 317.12 g/mol.
Where can I buy (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-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 (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-allyl-5-(1-((3-fluorophenyl)amino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.