(5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 347386-71-4) is a chemical compound with molecular formula C20H17N3O7 and molecular weight 411.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-(3,4-dimethylphenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-(3,4-dimethylphenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-(3,4-dimethylphenyl)-6-hydroxy-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4(3H,5H)-dione, (E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C20H17N3O7 |
|---|---|
| Molecular Weight | 411.11 g/mol |
| LogP | 2.59224 |
| Topological Polar Surface Area | 139.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 411.10666 |
| Heavy Atoms | 30 |
| Complexity | 1137.4603 |
Chemical Identifiers
| CAS Number | 347386-71-4 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)N2C(=O)/C(=C/C3=C(C(=CC(=C3)[N+](=O)[O-])OC)O)/C(=O)NC2=O)C |
Product Overview
(5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 347386-71-4), with molecular formula C20H17N3O7 and molecular weight 411.11 g/mol. IUPAC: (5E)-1-(3,4-dimethylphenyl)-5-[(2-hydroxy-3-methoxy-5-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.59224 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 139.08 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-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-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 347386-71-4.
What is the molecular formula of (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C20H17N3O7.
What is the molecular weight of (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 411.11 g/mol.
Where can I buy (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-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-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-(3,4-dimethylphenyl)-5-(2-hydroxy-3-methoxy-5-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.