(5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 347388-23-2) is a chemical compound with molecular formula C20H17N3O8 and molecular weight 427.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Also Known As: (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, (5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione, 5-[(3-ethoxy-4-hydroxy-5-nitro-phenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H17N3O8 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 2.3741 |
| Topological Polar Surface Area | 148.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.10156 |
| Heavy Atoms | 31 |
| Complexity | 1108.1532 |
Chemical Identifiers
| CAS Number | 347388-23-2 |
|---|---|
| SMILES | CCOC1=CC(=CC(=C1O)[N+](=O)[O-])/C=C\2/C(=O)NC(=O)N(C2=O)C3=CC=C(C=C3)OC |
Product Overview
(5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 347388-23-2), with molecular formula C20H17N3O8 and molecular weight 427.10 g/mol. IUPAC: (5Z)-5-[(3-ethoxy-4-hydroxy-5-nitrophenyl)methylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.3741 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 148.31 Ų indicates high polarity, suggesting (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione has 2 hydrogen bond donor(s) and 8 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-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 347388-23-2.
What is the molecular formula of (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C20H17N3O8.
What is the molecular weight of (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 427.10 g/mol.
Where can I buy (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)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-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5Z)-5-(3-ethoxy-4-hydroxy-5-nitrobenzylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.