5-(2-(7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 877778-81-9) is a chemical compound with molecular formula C21H22N8O7 and molecular weight 498.16 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-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 5-(2-(7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione, 5-[[7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-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]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C21H22N8O7 |
|---|---|
| Molecular Weight | 498.16 g/mol |
| LogP | -0.32038 |
| Topological Polar Surface Area | 201.95 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 7 |
| Exact Mass | 498.16113 |
| Heavy Atoms | 36 |
| Complexity | 1723.5748 |
Chemical Identifiers
| CAS Number | 877778-81-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OCC(CN2C3=C(N=C2N=NC4=C(NC(=O)NC4=O)O)N(C(=O)N(C3=O)C)C)O |
Product Overview
5-(2-(7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione (CAS 877778-81-9), with molecular formula C21H22N8O7 and molecular weight 498.16 g/mol. IUPAC: 8-[(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)diazenyl]-7-[2-hydroxy-3-(3-methylphenoxy)propyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 5-(2-(7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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 -0.32038 indicates that 5-(2-(7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 201.95 Ų indicates high polarity, suggesting 5-(2-(7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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 10 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-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is 877778-81-9.
What is the molecular formula of 5-(2-(7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is C21H22N8O7.
What is the molecular weight of 5-(2-(7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)pyrimidine-2,4,6(1H,3H,5H)-trione is 498.16 g/mol.
Where can I buy 5-(2-(7-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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-(2-hydroxy-3-(m-tolyloxy)propyl)-1,3-dimethyl-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.