![(5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione structure](/static/products/116/1164458-95-0.png)
(5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 1164458-95-0) is a chemical compound with molecular formula C21H22N4O5 and molecular weight 410.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-(pyridin-3-ylmethyliminomethyl)pyrimidine-2,4-dione
Also Known As: (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione, (5E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-{[(pyridin-3-ylmethyl)amino]methylidene}pyrimidine-2,4(3H,5H)-dione, (E)-1-(3,4-dimethoxyphenethyl)-5-(((pyridin-3-ylmethyl)amino)methylene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C21H22N4O5 |
|---|---|
| Molecular Weight | 410.16 g/mol |
| LogP | 1.5162 |
| Topological Polar Surface Area | 118.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 410.15903 |
| Heavy Atoms | 30 |
| Complexity | 1152.2937 |
Chemical Identifiers
| CAS Number | 1164458-95-0 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=C(C(=O)NC2=O)C=NCC3=CN=CC=C3)O)OC |
Product Overview
(5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione (CAS 1164458-95-0), with molecular formula C21H22N4O5 and molecular weight 410.16 g/mol. IUPAC: 1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxy-5-(pyridin-3-ylmethyliminomethyl)pyrimidine-2,4-dione.
Chemical Property Profile of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione
The XLogP value of 1.5162 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione. The TPSA of 118.8 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-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)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione is 1164458-95-0.
What is the molecular formula of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione is C21H22N4O5.
What is the molecular weight of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione is 410.16 g/mol.
Where can I buy (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-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)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-1-[2-(3,4-dimethoxyphenyl)ethyl]-5-[(pyridin-3-ylmethylamino)methylidene]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.