![(E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione structure](/static/products/579/579446-49-4.png)
(E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 579446-49-4) is a chemical compound with molecular formula C20H16ClN3O5 and molecular weight 413.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4-dione
Also Known As: (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-3-(4-chlorophenyl)-6-hydroxypyrimidine-2,4(3H,5H)-dione, 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione, 5-[1-(benzo[1,3]dioxol-5-ylmethylamino)ethylidene]-1-(4-chlorophenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H16ClN3O5 |
|---|---|
| Molecular Weight | 413.08 g/mol |
| LogP | 2.6227 |
| Topological Polar Surface Area | 105.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.07785 |
| Heavy Atoms | 29 |
| Complexity | 1228.3446 |
Chemical Identifiers
| CAS Number | 579446-49-4 |
|---|---|
| SMILES | CC(=NCC1=CC2=C(C=C1)OCO2)C3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)Cl)O |
Product Overview
(E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 579446-49-4), with molecular formula C20H16ClN3O5 and molecular weight 413.08 g/mol. IUPAC: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-1-(4-chlorophenyl)-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.6227 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 105.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 6 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)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 579446-49-4.
What is the molecular formula of (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C20H16ClN3O5.
What is the molecular weight of (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 413.08 g/mol.
Where can I buy (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)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)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-chlorophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.