3-Methyluric acid
TL;DR: 3-Methyluric acid (CAS 605-99-2) is a chemical compound with molecular formula C6H6N4O3 and molecular weight 182.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methyl-7,9-dihydropurine-2,6,8-trione
Also Known As: 3-METHYLURIC ACID, 3-methylurate, L-thyronine, N3-Methyluric Acid, 3-METHYLURICACID
| Molecular Formula | C6H6N4O3 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 182.04399 |
| Heavy Atoms | 13 |
| Complexity | 359.0 |
| Melting Point | > 350 °C |
| Solubility | 0.054 mg/mL at 25 °C |
Chemical Identifiers
| CAS Number | 605-99-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)NC(=O)N2 |
| InChIKey | ODCYDGXXCHTFIR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methyluric acid (CAS 605-99-2), with molecular formula C6H6N4O3 and molecular weight 182.04 g/mol. IUPAC: 3-methyl-7,9-dihydropurine-2,6,8-trione.
Chemical Property Profile of 3-Methyluric acid
Property Insights of 3-Methyluric acid
The XLogP value of -1.1 indicates that 3-Methyluric acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methyluric acid. Following Lipinski's Rule of Five, 3-Methyluric acid has 3 hydrogen bond donor(s) and 3 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 3-Methyluric acid?
The CAS number of 3-Methyluric acid is 605-99-2.
What is the molecular formula of 3-Methyluric acid?
The molecular formula of 3-Methyluric acid is C6H6N4O3.
What is the molecular weight of 3-Methyluric acid?
The molecular weight of 3-Methyluric acid is 182.04 g/mol.
Where can I buy 3-Methyluric acid?
You can request a quote for 3-Methyluric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methyluric acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methyluric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.