![(5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione structure](/static/products/587/587003-82-5.png)
(5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione (CAS 587003-82-5) is a chemical compound with molecular formula C19H14IN3O5 and molecular weight 491.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1-(4-iodophenyl)pyrimidine-2,4-dione
Also Known As: (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione, (5E)-5-{[(1,3-benzodioxol-5-ylmethyl)amino]methylidene}-6-hydroxy-3-(4-iodophenyl)pyrimidine-2,4(3H,5H)-dione, (E)-5-(((benzo[d][1,3]dioxol-5-ylmethyl)amino)methylene)-1-(4-iodophenyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione, 5-[(benzo[1,3]dioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione
| Molecular Formula | C19H14IN3O5 |
|---|---|
| Molecular Weight | 491.00 g/mol |
| LogP | 2.1838 |
| Topological Polar Surface Area | 105.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 490.99783 |
| Heavy Atoms | 28 |
| Complexity | 1181.6539 |
Chemical Identifiers
| CAS Number | 587003-82-5 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CN=CC3=C(N(C(=O)NC3=O)C4=CC=C(C=C4)I)O |
Product Overview
(5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione (CAS 587003-82-5), with molecular formula C19H14IN3O5 and molecular weight 491.00 g/mol. IUPAC: 5-(1,3-benzodioxol-5-ylmethyliminomethyl)-6-hydroxy-1-(4-iodophenyl)pyrimidine-2,4-dione.
Chemical Property Profile of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione
The XLogP value of 2.1838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-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-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-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-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione is 587003-82-5.
What is the molecular formula of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione is C19H14IN3O5.
What is the molecular weight of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione is 491.00 g/mol.
Where can I buy (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-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-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[(1,3-benzodioxol-5-ylmethylamino)methylidene]-1-(4-iodophenyl)-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.