1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid
TL;DR: 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid (CAS 68006-09-7) is a chemical compound with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]acetic acid
Also Known As: 1,2,3,6-Tetrahydro-2,6-dioxo-1-methyl-3-(2-methylpropyl)-7H-purine-7-acetic acid hydrate, 7H-Purine-7-acetic acid, 1,2,3,6-tetrahydro-2,6-dioxo-1-methyl-3-(2-methylpropyl)-, hydrate, 2-[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]acetic acid, 2,3,6,7-Tetrahydro-3-isobutyl-1-methyl-2,6-dioxo-1H-purine-7-acetic acid, [1-Methyl-3-(2-methylpropyl)-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl]acetic acid
| Molecular Formula | C12H16N4O4 |
|---|---|
| Molecular Weight | 280.12 g/mol |
| LogP | -0.3627 |
| Topological Polar Surface Area | 99.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 280.11716 |
| Heavy Atoms | 20 |
| Complexity | 781.07684 |
Chemical Identifiers
| CAS Number | 68006-09-7 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O |
Product Overview
1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid (CAS 68006-09-7), with molecular formula C12H16N4O4 and molecular weight 280.12 g/mol. IUPAC: 2-[1-methyl-3-(2-methylpropyl)-2,6-dioxopurin-7-yl]acetic acid.
Chemical Property Profile of 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid
Property Insights of 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid
The XLogP value of -0.3627 indicates that 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 99.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid. Following Lipinski's Rule of Five, 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid has 1 hydrogen bond donor(s) and 4 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 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid?
The CAS number of 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid is 68006-09-7.
What is the molecular formula of 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid?
The molecular formula of 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid is C12H16N4O4.
What is the molecular weight of 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid?
The molecular weight of 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid is 280.12 g/mol.
Where can I buy 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid?
You can request a quote for 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-Tetrahydro-1-methyl-3-(2-methylpropyl)-2,6-dioxo-7H-purine-7-acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.