![5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione structure](/static/products/577/577763-53-2.png)
5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione
TL;DR: 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione (CAS 577763-53-2) is a chemical compound with molecular formula C22H21N3O5 and molecular weight 407.15 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-ethylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione
Also Known As: 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione, 5-[1-(benzo[1,3]dioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione, (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]propylidene}-3-benzyl-6-hydroxypyrimidine-2,4(3H,5H)-dione, (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)propylidene)-1-benzylpyrimidine-2,4,6(1H,3H,5H)-trione
| Molecular Formula | C22H21N3O5 |
|---|---|
| Molecular Weight | 407.15 g/mol |
| LogP | 2.4185 |
| Topological Polar Surface Area | 105.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 407.14813 |
| Heavy Atoms | 30 |
| Complexity | 1211.6781 |
Chemical Identifiers
| CAS Number | 577763-53-2 |
|---|---|
| SMILES | CCC(=NCC1=CC2=C(C=C1)OCO2)C3=C(N(C(=O)NC3=O)CC4=CC=CC=C4)O |
Product Overview
5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione (CAS 577763-53-2), with molecular formula C22H21N3O5 and molecular weight 407.15 g/mol. IUPAC: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-ethylcarbonimidoyl]-1-benzyl-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione
Property Insights of 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione
The XLogP value of 2.4185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-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)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-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)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione?
The CAS number of 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione is 577763-53-2.
What is the molecular formula of 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione?
The molecular formula of 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione is C22H21N3O5.
What is the molecular weight of 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione?
The molecular weight of 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione is 407.15 g/mol.
Where can I buy 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione?
You can request a quote for 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-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-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-[1-(1,3-benzodioxol-5-ylmethylamino)propylidene]-1-benzyl-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.