![(5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione structure](/static/products/577/577695-29-5.png)
(5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione (CAS 577695-29-5) is a chemical compound with molecular formula C21H19N3O6 and molecular weight 409.13 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]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione
Also Known As: (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione, (5E)-5-{1-[(1,3-benzodioxol-5-ylmethyl)amino]ethylidene}-6-hydroxy-3-(4-methoxyphenyl)pyrimidine-2,4(3H,5H)-dione, (E)-5-(1-((benzo[d][1,3]dioxol-5-ylmethyl)amino)ethylidene)-1-(4-methoxyphenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione, 5-[1-(benzo[1,3]dioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H19N3O6 |
|---|---|
| Molecular Weight | 409.13 g/mol |
| LogP | 1.9779 |
| Topological Polar Surface Area | 115.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 409.12738 |
| Heavy Atoms | 30 |
| Complexity | 1241.077 |
Chemical Identifiers
| CAS Number | 577695-29-5 |
|---|---|
| SMILES | CC(=NCC1=CC2=C(C=C1)OCO2)C3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)OC)O |
Product Overview
(5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione (CAS 577695-29-5), with molecular formula C21H19N3O6 and molecular weight 409.13 g/mol. IUPAC: 5-[N-(1,3-benzodioxol-5-ylmethyl)-C-methylcarbonimidoyl]-6-hydroxy-1-(4-methoxyphenyl)pyrimidine-2,4-dione.
Chemical Property Profile of (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione
The XLogP value of 1.9779 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione. The TPSA of 115.14 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione has 2 hydrogen bond donor(s) and 7 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 (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione is 577695-29-5.
What is the molecular formula of (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione is C21H19N3O6.
What is the molecular weight of (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione is 409.13 g/mol.
Where can I buy (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-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 (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[1-(1,3-benzodioxol-5-ylmethylamino)ethylidene]-1-(4-methoxyphenyl)-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.