1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
TL;DR: 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 346636-70-2) is a chemical compound with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-1-[(4-methoxyphenyl)methyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione
Also Known As: 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione, (5Z)-1-[(4-methoxyphenyl)methyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione, (5Z)-6-hydroxy-3-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4(3H,5H)-dione, (Z)-1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)pyrimidine-2,4,6(1H,3H,5H)-trione, 1-(4-Methoxy-benzyl)-5-[1-(3,4,5-trimethoxy-phenyl)-meth-(Z)-ylidene]-pyrimidine-2,4,6-trione
| Molecular Formula | C22H22N2O7 |
|---|---|
| Molecular Weight | 426.14 g/mol |
| LogP | 2.383 |
| Topological Polar Surface Area | 103.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 426.1427 |
| Heavy Atoms | 31 |
| Complexity | 1019.3201 |
Chemical Identifiers
| CAS Number | 346636-70-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)CN2C(=O)/C(=C\C3=CC(=C(C(=C3)OC)OC)OC)/C(=O)NC2=O |
Product Overview
1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione (CAS 346636-70-2), with molecular formula C22H22N2O7 and molecular weight 426.14 g/mol. IUPAC: (5Z)-1-[(4-methoxyphenyl)methyl]-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-diazinane-2,4,6-trione.
Chemical Property Profile of 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
Property Insights of 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione
The XLogP value of 2.383 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione. The TPSA of 103.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione. Following Lipinski's Rule of Five, 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione has 1 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 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The CAS number of 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 346636-70-2.
What is the molecular formula of 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular formula of 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is C22H22N2O7.
What is the molecular weight of 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
The molecular weight of 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione is 426.14 g/mol.
Where can I buy 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
You can request a quote for 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-methoxybenzyl)-5-(3,4,5-trimethoxybenzylidene)-2,4,6(1H,3H,5H)-pyrimidinetrione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.