5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione (CAS 427-16-7) is a chemical compound with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Also Known As: 5-ethyl-5-m-aminophenylbarbituric acid, 5-(3-amino-phenyl)-5-ethyl-pyrimidine-2,4,6-trione, BARBITURIC ACID,5-ETHYL,5-(3-ANILINE), 5-Aethyl-5-(3-amino-phenyl)-barbitursaeure, 5-(3-aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
| Molecular Formula | C12H13N3O3 |
|---|---|
| Molecular Weight | 247.10 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 247.09569 |
| Heavy Atoms | 18 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 427-16-7 |
|---|---|
| SMILES | CCC1(C(=O)NC(=O)NC1=O)C2=CC(=CC=C2)N |
| InChIKey | QPSCDPWJQSUAHJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione (CAS 427-16-7), with molecular formula C12H13N3O3 and molecular weight 247.10 g/mol. IUPAC: 5-(3-aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione has 3 hydrogen bond donor(s) and 4 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-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione is 427-16-7.
What is the molecular formula of 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione is C12H13N3O3.
What is the molecular weight of 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione is 247.10 g/mol.
Where can I buy 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-(3-Aminophenyl)-5-ethyl-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-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(3-Aminophenyl)-5-ethyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.