(5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 537020-06-7) 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.
(5E)-1-(2,5-dimethoxyphenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(2,5-dimethoxyphenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione, (E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(2,5-dimethoxyphenyl)-5-[(4-methoxy-3-nitro-phenyl)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H17N3O8 |
|---|---|
| Molecular Weight | 427.10 g/mol |
| LogP | 2.287 |
| Topological Polar Surface Area | 137.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 427.10156 |
| Heavy Atoms | 31 |
| Complexity | 1125.4032 |
Chemical Identifiers
| CAS Number | 537020-06-7 |
|---|---|
| SMILES | COC1=CC(=C(C=C1)OC)N2C(=O)/C(=C/C3=CC(=C(C=C3)OC)[N+](=O)[O-])/C(=O)NC2=O |
Product Overview
(5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 537020-06-7), with molecular formula C20H17N3O8 and molecular weight 427.10 g/mol. IUPAC: (5E)-1-(2,5-dimethoxyphenyl)-5-[(4-methoxy-3-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.287 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 137.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione has 1 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 (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 537020-06-7.
What is the molecular formula of (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C20H17N3O8.
What is the molecular weight of (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 427.10 g/mol.
Where can I buy (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)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 (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(2,5-dimethoxyphenyl)-5-(4-methoxy-3-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.