(E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714289-58-4) is a chemical compound with molecular formula C21H20ClN3O3 and molecular weight 397.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-chlorophenyl)-5-[1-(phenethylamino)propylidene]-1,3-diazinane-2,4,6-trione, (5E)-1-(4-chlorophenyl)-5-[1-(phenethylamino)propylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(4-chlorophenyl)-6-hydroxy-5-{1-[(2-phenylethyl)amino]propylidene}pyrimidine-2,4(3H,5H)-dione
| Molecular Formula | C21H20ClN3O3 |
|---|---|
| Molecular Weight | 397.12 g/mol |
| LogP | 3.3266 |
| Topological Polar Surface Area | 87.45 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.11932 |
| Heavy Atoms | 28 |
| Complexity | 1100.48 |
Chemical Identifiers
| CAS Number | 714289-58-4 |
|---|---|
| SMILES | CCC(=NCCC1=CC=CC=C1)C2=C(N(C(=O)NC2=O)C3=CC=C(C=C3)Cl)O |
Product Overview
(E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 714289-58-4), with molecular formula C21H20ClN3O3 and molecular weight 397.12 g/mol. IUPAC: 1-(4-chlorophenyl)-5-[C-ethyl-N-(2-phenylethyl)carbonimidoyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.3266 indicates that (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.45 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)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-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 714289-58-4.
What is the molecular formula of (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C21H20ClN3O3.
What is the molecular weight of (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 397.12 g/mol.
Where can I buy (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)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-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(4-chlorophenyl)-5-(1-(phenethylamino)propylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.