5-(2-Nitrobenzylidene)barbituric acid
TL;DR: 5-(2-Nitrobenzylidene)barbituric acid (CAS 26908-37-2) is a chemical compound with molecular formula C11H7N3O5 and molecular weight 261.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 5-(2-Nitrobenzylidene)barbituric acid, 5-(2-nitrobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(2-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione, BAS 00284693, J1.943.280G
| Molecular Formula | C11H7N3O5 |
|---|---|
| Molecular Weight | 261.04 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 121.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 261.03857 |
| Heavy Atoms | 19 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 26908-37-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)[N+](=O)[O-] |
| InChIKey | QDAXQIQSXPIHRT-UHFFFAOYSA-N |
Product Overview
5-(2-Nitrobenzylidene)barbituric acid (CAS 26908-37-2), with molecular formula C11H7N3O5 and molecular weight 261.04 g/mol. IUPAC: 5-[(2-nitrophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(2-Nitrobenzylidene)barbituric acid
Property Insights of 5-(2-Nitrobenzylidene)barbituric acid
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Nitrobenzylidene)barbituric acid. The TPSA of 121.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Nitrobenzylidene)barbituric acid. Following Lipinski's Rule of Five, 5-(2-Nitrobenzylidene)barbituric acid 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-(2-Nitrobenzylidene)barbituric acid?
The CAS number of 5-(2-Nitrobenzylidene)barbituric acid is 26908-37-2.
What is the molecular formula of 5-(2-Nitrobenzylidene)barbituric acid?
The molecular formula of 5-(2-Nitrobenzylidene)barbituric acid is C11H7N3O5.
What is the molecular weight of 5-(2-Nitrobenzylidene)barbituric acid?
The molecular weight of 5-(2-Nitrobenzylidene)barbituric acid is 261.04 g/mol.
Where can I buy 5-(2-Nitrobenzylidene)barbituric acid?
You can request a quote for 5-(2-Nitrobenzylidene)barbituric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Nitrobenzylidene)barbituric acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Nitrobenzylidene)barbituric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.