5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 489457-04-7) is a chemical compound with molecular formula C26H25N3O5 and molecular weight 459.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione
Also Known As: 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione, 5-[4-(benzyloxy)-3-methoxybenzyl]-2,6-dihydroxy-5-[2-(pyridin-4-yl)ethyl]pyrimidin-4(5H)-one
| Molecular Formula | C26H25N3O5 |
|---|---|
| Molecular Weight | 459.18 g/mol |
| LogP | 3.1969 |
| Topological Polar Surface Area | 106.62 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.1794 |
| Heavy Atoms | 34 |
| Complexity | 1161.5552 |
Chemical Identifiers
| CAS Number | 489457-04-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)CC2(C(=O)NC(=O)NC2=O)CCC3=CC=NC=C3)OCC4=CC=CC=C4 |
Product Overview
5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 489457-04-7), with molecular formula C26H25N3O5 and molecular weight 459.18 g/mol. IUPAC: 5-[(3-methoxy-4-phenylmethoxyphenyl)methyl]-5-(2-pyridin-4-ylethyl)-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 3.1969 indicates that 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 106.62 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione. Following Lipinski's Rule of Five, 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-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 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 489457-04-7.
What is the molecular formula of 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is C26H25N3O5.
What is the molecular weight of 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione is 459.18 g/mol.
Where can I buy 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-(benzyloxy)-3-methoxybenzyl)-5-(2-(pyridin-4-yl)ethyl)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.