1-甲基尿酸
TL;DR: 1-甲基尿酸 (CAS 708-79-2) 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.
1-甲基尿酸
1-methyl-7,9-dihydro-3H-purine-2,6,8-trione
Also Known As: 1-Methyluric acid, 1-Methylurate, 1-Methyl-2,6,8-trihydroxypurine, 1-Methyl-uric Acid, 1-Methyluric Acid-d3
| Molecular Formula | C6H6N4O3 |
|---|---|
| Molecular Weight | 182.04 g/mol |
| LogP | -0.6 |
| 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 |
| Solubility | 5 mg/mL |
Chemical Identifiers
| CAS Number | 708-79-2 |
|---|---|
| SMILES | CN1C(=O)C2=C(NC(=O)N2)NC1=O |
| InChIKey | QFDRTQONISXGJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-甲基尿酸 (CAS 708-79-2), with molecular formula C6H6N4O3 and molecular weight 182.04 g/mol. IUPAC: 1-methyl-7,9-dihydro-3H-purine-2,6,8-trione.
Chemical Property Profile of 1-甲基尿酸
Property Insights of 1-甲基尿酸
The XLogP value of -0.6 indicates that 1-甲基尿酸 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 1-甲基尿酸. Following Lipinski's Rule of Five, 1-甲基尿酸 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 1-甲基尿酸?
The CAS number of 1-甲基尿酸 is 708-79-2.
What is the molecular formula of 1-甲基尿酸?
The molecular formula of 1-甲基尿酸 is C6H6N4O3.
What is the molecular weight of 1-甲基尿酸?
The molecular weight of 1-甲基尿酸 is 182.04 g/mol.
Where can I buy 1-甲基尿酸?
You can request a quote for 1-甲基尿酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-甲基尿酸?
Yes, KEHONG BIO provides custom synthesis services for 1-甲基尿酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.