![5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione structure](/static/products/714/714227-51-7.png)
5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione (CAS 714227-51-7) is a chemical compound with molecular formula C18H21N3O5 and molecular weight 359.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-1-butyl-6-hydroxypyrimidine-2,4-dione
Also Known As: 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione, 5-[1-(benzo[1,3]dioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione, (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-3-butyl-6-hydroxypyrimidine-2,4(3H,5H)-dione, (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-butylpyrimidine-2,4,6(1H,3H,5H)-trione, 5-[1-[(Benzo[1,3]dioxol-5-ylmethyl)-amino]-eth-(E)-ylidene]-1-butyl-pyrimidine-2,4,6-trione
| Molecular Formula | C18H21N3O5 |
|---|---|
| Molecular Weight | 359.15 g/mol |
| LogP | 1.7802 |
| Topological Polar Surface Area | 105.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 359.14813 |
| Heavy Atoms | 26 |
| Complexity | 958.27454 |
Chemical Identifiers
| CAS Number | 714227-51-7 |
|---|---|
| SMILES | CCCCN1C(=C(C(=O)NC1=O)C(=NCC2=CC3=C(C=C2)OCO3)C)O |
Product Overview
5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione (CAS 714227-51-7), with molecular formula C18H21N3O5 and molecular weight 359.15 g/mol. IUPAC: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-1-butyl-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione
The XLogP value of 1.7802 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione. The TPSA of 105.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 6 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-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione is 714227-51-7.
What is the molecular formula of 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione is C18H21N3O5.
What is the molecular weight of 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione is 359.15 g/mol.
Where can I buy 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-[1-(1,3-benzodioxol-5-ylmethylamino)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-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-butyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.