5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 5772-37-2) is a chemical compound with molecular formula C11H7BrN2O3 and molecular weight 293.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(2-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: NCIOpen2_006100, 5-(2-Bromobenzylidene)barbituric acid, 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione, 5-[(2-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione, 5-(2-bromobenzylidene)pyrimidine-2,4,6(1h,3h,5h)-trione
| Molecular Formula | C11H7BrN2O3 |
|---|---|
| Molecular Weight | 293.96 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 293.964 |
| Heavy Atoms | 17 |
| Complexity | 384.0 |
Chemical Identifiers
| CAS Number | 5772-37-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C=C2C(=O)NC(=O)NC2=O)Br |
| InChIKey | RKGKIGKAOFHESE-UHFFFAOYSA-N |
Product Overview
5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 5772-37-2), with molecular formula C11H7BrN2O3 and molecular weight 293.96 g/mol. IUPAC: 5-[(2-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione has 2 hydrogen bond donor(s) and 3 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-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 5772-37-2.
What is the molecular formula of 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is C11H7BrN2O3.
What is the molecular weight of 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 293.96 g/mol.
Where can I buy 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-Bromobenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.