1,3,7-Trimethyldihydrouric acid
TL;DR: 1,3,7-Trimethyldihydrouric acid (CAS 5426-66-4) is a chemical compound with molecular formula C8H12N4O3 and molecular weight 212.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-hydroxy-1,3,7-trimethyl-8,9-dihydropurine-2,6-dione
Also Known As: 1,3,7-Trimethyldihydrouric acid, trimethyldihydrouric acid, 3,7,8,9-Tetrahydro-8-hydroxy-1,3,7-trimethyl-1H-purine-2,6-dione, 8-hydroxy-1,3,7-trimethyl-8,9-dihydropurine-2,6-dione, 1H-Purine-2,6-dione, 3,7,8,9-tetrahydro-8-hydroxy-1,3,7-trimethyl-
| Molecular Formula | C8H12N4O3 |
|---|---|
| Molecular Weight | 212.09 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 76.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 0 |
| Exact Mass | 212.09094 |
| Heavy Atoms | 15 |
| Complexity | 378.0 |
Chemical Identifiers
| CAS Number | 5426-66-4 |
|---|---|
| SMILES | CN1C(NC2=C1C(=O)N(C(=O)N2C)C)O |
| InChIKey | LSSRXYJELYKXQJ-UHFFFAOYSA-N |
Product Overview
1,3,7-Trimethyldihydrouric acid (CAS 5426-66-4), with molecular formula C8H12N4O3 and molecular weight 212.09 g/mol. IUPAC: 8-hydroxy-1,3,7-trimethyl-8,9-dihydropurine-2,6-dione.
Chemical Property Profile of 1,3,7-Trimethyldihydrouric acid
Property Insights of 1,3,7-Trimethyldihydrouric acid
The XLogP value of -0.7 indicates that 1,3,7-Trimethyldihydrouric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 76.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3,7-Trimethyldihydrouric acid. Following Lipinski's Rule of Five, 1,3,7-Trimethyldihydrouric acid has 2 hydrogen bond donor(s) and 5 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 1,3,7-Trimethyldihydrouric acid?
The CAS number of 1,3,7-Trimethyldihydrouric acid is 5426-66-4.
What is the molecular formula of 1,3,7-Trimethyldihydrouric acid?
The molecular formula of 1,3,7-Trimethyldihydrouric acid is C8H12N4O3.
What is the molecular weight of 1,3,7-Trimethyldihydrouric acid?
The molecular weight of 1,3,7-Trimethyldihydrouric acid is 212.09 g/mol.
Where can I buy 1,3,7-Trimethyldihydrouric acid?
You can request a quote for 1,3,7-Trimethyldihydrouric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,7-Trimethyldihydrouric acid?
Yes, KEHONG BIO provides custom synthesis services for 1,3,7-Trimethyldihydrouric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.