![(5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione structure](/static/products/862/862245-48-5.png)
(5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
TL;DR: (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione (CAS 862245-48-5) is a chemical compound with molecular formula C27H32N4O5 and molecular weight 492.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(1-benzylpiperidin-4-yl)iminomethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4-dione
Also Known As: (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione, (5Z)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione, (E)-5-(((1-benzylpiperidin-4-yl)amino)methylene)-1-(3,4-dimethoxyphenethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
| Molecular Formula | C27H32N4O5 |
|---|---|
| Molecular Weight | 492.24 g/mol |
| LogP | 2.5856 |
| Topological Polar Surface Area | 109.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 492.23727 |
| Heavy Atoms | 36 |
| Complexity | 1307.9747 |
Chemical Identifiers
| CAS Number | 862245-48-5 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)CCN2C(=C(C(=O)NC2=O)C=NC3CCN(CC3)CC4=CC=CC=C4)O)OC |
Product Overview
(5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione (CAS 862245-48-5), with molecular formula C27H32N4O5 and molecular weight 492.24 g/mol. IUPAC: 5-[(1-benzylpiperidin-4-yl)iminomethyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-6-hydroxypyrimidine-2,4-dione.
Chemical Property Profile of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
Property Insights of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione
The XLogP value of 2.5856 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione. The TPSA of 109.15 Ų falls within the moderate polarity range, balancing permeability and solubility for (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione. Following Lipinski's Rule of Five, (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-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-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione?
The CAS number of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione is 862245-48-5.
What is the molecular formula of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione?
The molecular formula of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione is C27H32N4O5.
What is the molecular weight of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione?
The molecular weight of (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione is 492.24 g/mol.
Where can I buy (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione?
You can request a quote for (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)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-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione?
Yes, KEHONG BIO provides custom synthesis services for (5E)-5-[[(1-benzylpiperidin-4-yl)amino]methylidene]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,3-diazinane-2,4,6-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.