![(5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione structure](/static/products/672/672316-70-0.png)
(5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione (CAS 672316-70-0) is a chemical compound with molecular formula C20H21N3O5 and molecular weight 383.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-yliminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione, (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-3-[2-(cyclohex-1-en-1-yl)ethyl]-6-hydroxypyrimidine-2,4(3H,5H)-dione, (E)-5-((benzo[d][1,3]dioxol-5-ylamino)methylene)-1-(2-(cyclohex-1-en-1-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C20H21N3O5 |
|---|---|
| Molecular Weight | 383.15 g/mol |
| LogP | 2.612 |
| Topological Polar Surface Area | 105.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.14813 |
| Heavy Atoms | 28 |
| Complexity | 1064.4865 |
Chemical Identifiers
| CAS Number | 672316-70-0 |
|---|---|
| SMILES | C1CCC(=CC1)CCN2C(=C(C(=O)NC2=O)C=NC3=CC4=C(C=C3)OCO4)O |
Product Overview
(5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione (CAS 672316-70-0), with molecular formula C20H21N3O5 and molecular weight 383.15 g/mol. IUPAC: 5-(1,3-benzodioxol-5-yliminomethyl)-1-[2-(cyclohexen-1-yl)ethyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione
The XLogP value of 2.612 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione. The TPSA of 105.91 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-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 (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione is 672316-70-0.
What is the molecular formula of (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione is C20H21N3O5.
What is the molecular weight of (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione is 383.15 g/mol.
Where can I buy (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)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 (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(1,3-benzodioxol-5-ylamino)methylidene]-1-[2-(cyclohexen-1-yl)ethyl]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.