(E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 300587-52-4) is a chemical compound with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5E)-1-tert-butyl-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-tert-butyl-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, (5E)-1-tert-butyl-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C17H20N2O5 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 2.0512 |
| Topological Polar Surface Area | 95.94 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.1372 |
| Heavy Atoms | 24 |
| Complexity | 730.9867 |
Chemical Identifiers
| CAS Number | 300587-52-4 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C/2\C(=O)NC(=O)N(C2=O)C(C)(C)C)O |
Product Overview
(E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 300587-52-4), with molecular formula C17H20N2O5 and molecular weight 332.14 g/mol. IUPAC: (5E)-1-tert-butyl-5-[(3-ethoxy-4-hydroxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 2.0512 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 95.94 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)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 (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 300587-52-4.
What is the molecular formula of (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C17H20N2O5.
What is the molecular weight of (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 332.14 g/mol.
Where can I buy (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)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 (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for (E)-1-(tert-butyl)-5-(3-ethoxy-4-hydroxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.