5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione
TL;DR: 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione (CAS 26908-36-1) is a chemical compound with molecular formula C11H6BrN3O5 and molecular weight 338.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(5-bromo-2-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 5-(5-bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione, 5-[(5-bromo-2-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione, 2,4,6(1H,3H,5H)-Pyrimidinetrione,5-[(5-bromo-2-nitrophenyl)methylene]-
| Molecular Formula | C11H6BrN3O5 |
|---|---|
| Molecular Weight | 338.95 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 338.94907 |
| Heavy Atoms | 20 |
| Complexity | 491.0 |
Chemical Identifiers
| CAS Number | 26908-36-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1Br)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-] |
| InChIKey | VMOCFNYIVFVKJR-UHFFFAOYSA-N |
Product Overview
5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione (CAS 26908-36-1), with molecular formula C11H6BrN3O5 and molecular weight 338.95 g/mol. IUPAC: 5-[(5-bromo-2-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione
Property Insights of 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione. Following Lipinski's Rule of Five, 5-(5-Bromo-2-nitrobenzylidene)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 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione?
The CAS number of 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione is 26908-36-1.
What is the molecular formula of 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione?
The molecular formula of 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione is C11H6BrN3O5.
What is the molecular weight of 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione?
The molecular weight of 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione is 338.95 g/mol.
Where can I buy 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione?
You can request a quote for 5-(5-Bromo-2-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 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(5-Bromo-2-nitrobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.