![(5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/4262/426223-59-8.webp)
(5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione (CAS 426223-59-8) is a chemical compound with molecular formula C20H16ClN3O7 and molecular weight 445.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione, 1-(3-chloro-2-methylphenyl)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione, 1-(3-Chloro-2-methylphenyl)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C20H16ClN3O7 |
|---|---|
| Molecular Weight | 445.07 g/mol |
| LogP | 3.32732 |
| Topological Polar Surface Area | 139.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 445.0677 |
| Heavy Atoms | 31 |
| Complexity | 1159.7028 |
Chemical Identifiers
| CAS Number | 426223-59-8 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C/2\C(=O)NC(=O)N(C2=O)C3=C(C(=CC=C3)Cl)C |
Product Overview
(5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione (CAS 426223-59-8), with molecular formula C20H16ClN3O7 and molecular weight 445.07 g/mol. IUPAC: (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 3.32732 indicates that (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 139.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 7 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 (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione is 426223-59-8.
What is the molecular formula of (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione is C20H16ClN3O7.
What is the molecular weight of (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione is 445.07 g/mol.
Where can I buy (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-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 (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(3-chloro-2-methylphenyl)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.