5-Benzyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-Benzyl-1,3-diazinane-2,4,6-trione (CAS 59554-45-9) is a chemical compound with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-benzyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-benzylbarbituric acid, 5-benzyl-1,3-diazinane-2,4,6-trione, Phenobarbital Impurity 5, 5-Benzyl-barbitursaeure, 5-benzyl-barbituric acid
| Molecular Formula | C11H10N2O3 |
|---|---|
| Molecular Weight | 218.07 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 218.06914 |
| Heavy Atoms | 16 |
| Complexity | 301.0 |
Chemical Identifiers
| CAS Number | 59554-45-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2C(=O)NC(=O)NC2=O |
| InChIKey | MENIJRPFVLNJIH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Benzyl-1,3-diazinane-2,4,6-trione (CAS 59554-45-9), with molecular formula C11H10N2O3 and molecular weight 218.07 g/mol. IUPAC: 5-benzyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-Benzyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-Benzyl-1,3-diazinane-2,4,6-trione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzyl-1,3-diazinane-2,4,6-trione. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-Benzyl-1,3-diazinane-2,4,6-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-Benzyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-Benzyl-1,3-diazinane-2,4,6-trione is 59554-45-9.
What is the molecular formula of 5-Benzyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-Benzyl-1,3-diazinane-2,4,6-trione is C11H10N2O3.
What is the molecular weight of 5-Benzyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-Benzyl-1,3-diazinane-2,4,6-trione is 218.07 g/mol.
Where can I buy 5-Benzyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-Benzyl-1,3-diazinane-2,4,6-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.