1,3-二甲基尿酸
TL;DR: 1,3-二甲基尿酸 (CAS 944-73-0) is a chemical compound with molecular formula C7H8N4O3 and molecular weight 196.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-二甲基尿酸
1,3-dimethyl-7,9-dihydropurine-2,6,8-trione
Also Known As: 1,3-Dimethyluric acid, Oxytheophylline, 1,3-Dimethylurate, 1,3-diMethyl-1H-purine-2,6,8(3H,7H,9H)-trione, Ba 2751
| Molecular Formula | C7H8N4O3 |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | -0.5 |
| Topological Polar Surface Area | 81.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.05965 |
| Heavy Atoms | 14 |
| Complexity | 386.0 |
| Melting Point | 408 - 410 °C |
| Solubility | 0.52 mg/mL at 18 °C |
Chemical Identifiers
| CAS Number | 944-73-0 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=O)N2 |
| InChIKey | OTSBKHHWSQYEHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-二甲基尿酸 (CAS 944-73-0), with molecular formula C7H8N4O3 and molecular weight 196.06 g/mol. IUPAC: 1,3-dimethyl-7,9-dihydropurine-2,6,8-trione.
Chemical Property Profile of 1,3-二甲基尿酸
Property Insights of 1,3-二甲基尿酸
The XLogP value of -0.5 indicates that 1,3-二甲基尿酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 81.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-二甲基尿酸. Following Lipinski's Rule of Five, 1,3-二甲基尿酸 has 2 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 1,3-二甲基尿酸?
The CAS number of 1,3-二甲基尿酸 is 944-73-0.
What is the molecular formula of 1,3-二甲基尿酸?
The molecular formula of 1,3-二甲基尿酸 is C7H8N4O3.
What is the molecular weight of 1,3-二甲基尿酸?
The molecular weight of 1,3-二甲基尿酸 is 196.06 g/mol.
Where can I buy 1,3-二甲基尿酸?
You can request a quote for 1,3-二甲基尿酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-二甲基尿酸?
Yes, KEHONG BIO provides custom synthesis services for 1,3-二甲基尿酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.