6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid
TL;DR: 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid (CAS 487012-21-5) is a chemical compound with molecular formula C19H22N6O7 and molecular weight 446.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-[[[7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid
Also Known As: 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid, 6-[[[7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid
| Molecular Formula | C19H22N6O7 |
|---|---|
| Molecular Weight | 446.15 g/mol |
| LogP | -0.4126 |
| Topological Polar Surface Area | 162.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 446.155 |
| Heavy Atoms | 32 |
| Complexity | 1334.9008 |
Chemical Identifiers
| CAS Number | 487012-21-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NN=CC3=C(C(=C(C=C3)OC)OC)C(=O)O)CCO |
Product Overview
6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid (CAS 487012-21-5), with molecular formula C19H22N6O7 and molecular weight 446.15 g/mol. IUPAC: 6-[[[7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxopurin-8-yl]hydrazinylidene]methyl]-2,3-dimethoxybenzoic acid.
Chemical Property Profile of 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid
Property Insights of 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid
The XLogP value of -0.4126 indicates that 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 162.2 Ų indicates high polarity, suggesting 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid has 3 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 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid?
The CAS number of 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid is 487012-21-5.
What is the molecular formula of 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid?
The molecular formula of 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid is C19H22N6O7.
What is the molecular weight of 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid?
The molecular weight of 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid is 446.15 g/mol.
Where can I buy 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid?
You can request a quote for 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 6-((2-(7-(2-hydroxyethyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-8-yl)hydrazono)methyl)-2,3-dimethoxybenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.