![5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione structure](/static/products/840/840510-45-4.png)
5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione (CAS 840510-45-4) is a chemical compound with molecular formula C16H20N4O3 and molecular weight 316.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-1-butyl-6-hydroxypyrimidine-2,4-dione
Also Known As: 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione, 5-[1-(2-azaniumylanilino)ethylidene]-1-butyl-4,6-dioxopyrimidin-2-olate, (5E)-5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione, (E)-5-(1-((2-aminophenyl)amino)ethylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[1-[(2-azaniumylphenyl)amino]ethylidene]-1-butyl-4,6-dioxo-pyrimidin-2-olate
| Molecular Formula | C16H20N4O3 |
|---|---|
| Molecular Weight | 316.15 g/mol |
| LogP | 1.7652 |
| Topological Polar Surface Area | 113.47 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.15353 |
| Heavy Atoms | 23 |
| Complexity | 849.13434 |
Chemical Identifiers
| CAS Number | 840510-45-4 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C(=NC2=CC=CC=C2N)C)O |
Product Overview
5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione (CAS 840510-45-4), with molecular formula C16H20N4O3 and molecular weight 316.15 g/mol. IUPAC: 5-[N-(2-aminophenyl)-C-methylcarbonimidoyl]-1-butyl-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione
The XLogP value of 1.7652 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione. The TPSA of 113.47 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione has 3 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-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione is 840510-45-4.
What is the molecular formula of 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione is C16H20N4O3.
What is the molecular weight of 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione is 316.15 g/mol.
Where can I buy 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-[1-(2-aminoanilino)ethylidene]-1-butyl-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-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(2-aminoanilino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.