5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione
TL;DR: 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 862208-69-3) is a chemical compound with molecular formula C19H18N8O6 and molecular weight 454.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione
Also Known As: 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[7-[2-(4-methoxyphenyl)ethyl]-3-methyl-2,6-dioxopurin-8-yl]hydrazinylidene]-1,3-diazinane-2,4,6-trione, 8-[(2Z)-2-(2,6-dihydroxy-4-oxopyrimidin-5(4H)-ylidene)hydrazinyl]-6-hydroxy-7-[2-(4-methoxyphenyl)ethyl]-3-methyl-3,7-dihydro-2H-purin-2-one
| Molecular Formula | C19H18N8O6 |
|---|---|
| Molecular Weight | 454.13 g/mol |
| LogP | 0.1722 |
| Topological Polar Surface Area | 192.58 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.13492 |
| Heavy Atoms | 33 |
| Complexity | 1603.2665 |
Chemical Identifiers
| CAS Number | 862208-69-3 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N=NC3=C(NC(=O)NC3=O)O)CCC4=CC=C(C=C4)OC |
Product Overview
5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 862208-69-3), with molecular formula C19H18N8O6 and molecular weight 454.13 g/mol. IUPAC: 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-7-[2-(4-methoxyphenyl)ethyl]-3-methylpurine-2,6-dione.
Chemical Property Profile of 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione
Property Insights of 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione
The XLogP value of 0.1722 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione. The TPSA of 192.58 Ų indicates high polarity, suggesting 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione has 4 hydrogen bond donor(s) and 9 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-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
The CAS number of 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is 862208-69-3.
What is the molecular formula of 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular formula of 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is C19H18N8O6.
What is the molecular weight of 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
The molecular weight of 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is 454.13 g/mol.
Where can I buy 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
You can request a quote for 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)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-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione?
Yes, KEHONG BIO provides custom synthesis services for 5-(2-(7-(4-methoxyphenethyl)-3-methyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.