5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 49546-72-7) 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-[(4-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: TimTec1_005108, NCIOpen2_006140, 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-(4-Bromobenzylidene)barbituric acid, BAS 00284695
| 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 | 376.0 |
Chemical Identifiers
| CAS Number | 49546-72-7 |
|---|---|
| SMILES | C1=CC(=CC=C1C=C2C(=O)NC(=O)NC2=O)Br |
| InChIKey | CQEQIOMGDJRDII-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 49546-72-7), with molecular formula C11H7BrN2O3 and molecular weight 293.96 g/mol. IUPAC: 5-[(4-bromophenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione 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-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 49546-72-7.
What is the molecular formula of 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is C11H7BrN2O3.
What is the molecular weight of 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione is 293.96 g/mol.
Where can I buy 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(4-bromobenzylidene)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-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-bromobenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.