1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid
TL;DR: 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid (CAS 71965-22-5) is a chemical compound with molecular formula C6H4N4O4 and molecular weight 196.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-dioxo-3H-purine-9-carboxylic acid
Also Known As: EINECS 276-241-2, 2,6-Dioxo-2,3-dihydro-1H-purine-9(6H)-carboxylic acid, 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid, 2,6-dioxo-3H-purine-9-carboxylic acid, 2,6-Dihydroxy-9H-purine-9-carboxylic acid
| Molecular Formula | C6H4N4O4 |
|---|---|
| Molecular Weight | 196.02 g/mol |
| LogP | -1.061 |
| Topological Polar Surface Area | 120.84 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.02325 |
| Heavy Atoms | 14 |
| Complexity | 618.52856 |
Chemical Identifiers
| CAS Number | 71965-22-5 |
|---|---|
| SMILES | C1=NC2=C(N1C(=O)O)NC(=O)NC2=O |
Product Overview
1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid (CAS 71965-22-5), with molecular formula C6H4N4O4 and molecular weight 196.02 g/mol. IUPAC: 2,6-dioxo-3H-purine-9-carboxylic acid.
Chemical Property Profile of 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid
Property Insights of 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid
The XLogP value of -1.061 indicates that 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid. Following Lipinski's Rule of Five, 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid has 3 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-2,6-dioxo-9H-purine-9-carboxylic acid?
The CAS number of 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid is 71965-22-5.
What is the molecular formula of 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid?
The molecular formula of 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid is C6H4N4O4.
What is the molecular weight of 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid?
The molecular weight of 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid is 196.02 g/mol.
Where can I buy 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid?
You can request a quote for 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic 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-2,6-dioxo-9H-purine-9-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3,6-Tetrahydro-2,6-dioxo-9H-purine-9-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.