(5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 690968-91-3) is a chemical compound with molecular formula C20H16BrClN2O5 and molecular weight 477.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H16BrClN2O5 |
|---|---|
| Molecular Weight | 477.99 g/mol |
| LogP | 4.18162 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 477.9931 |
| Heavy Atoms | 29 |
| Complexity | 1067.0774 |
Chemical Identifiers
| CAS Number | 690968-91-3 |
|---|---|
| SMILES | CCOC1=C(C=C(C(=C1)/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC(=C(C=C3)C)Cl)Br)O |
Product Overview
(5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 690968-91-3), with molecular formula C20H16BrClN2O5 and molecular weight 477.99 g/mol. IUPAC: (5Z)-5-[(2-bromo-5-ethoxy-4-hydroxyphenyl)methylidene]-1-(3-chloro-4-methylphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 4.18162 indicates that (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 5 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 (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 690968-91-3.
What is the molecular formula of (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C20H16BrClN2O5.
What is the molecular weight of (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 477.99 g/mol.
Where can I buy (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)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 (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(2-bromo-5-ethoxy-4-hydroxybenzylidene)-1-(3-chloro-4-methylphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.