3,7-二甲基尿酸
TL;DR: 3,7-二甲基尿酸 (CAS 13087-49-5) 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.
3,7-二甲基尿酸
3,7-dimethyl-9H-purine-2,6,8-trione
Also Known As: 3,7-Dimethyluric acid, 8-Oxotheobromine, OXYTHEOBROMINE, 3,7-dimethylurate, 37-Dimethyluric acid
| Molecular Formula | C7H8N4O3 |
|---|---|
| Molecular Weight | 196.06 g/mol |
| LogP | -1.3 |
| 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 |
Chemical Identifiers
| CAS Number | 13087-49-5 |
|---|---|
| SMILES | CN1C2=C(NC1=O)N(C(=O)NC2=O)C |
| InChIKey | HMLZLHKHNBLLJD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,7-二甲基尿酸 (CAS 13087-49-5), with molecular formula C7H8N4O3 and molecular weight 196.06 g/mol. IUPAC: 3,7-dimethyl-9H-purine-2,6,8-trione.
Chemical Property Profile of 3,7-二甲基尿酸
Property Insights of 3,7-二甲基尿酸
The XLogP value of -1.3 indicates that 3,7-二甲基尿酸 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 3,7-二甲基尿酸. Following Lipinski's Rule of Five, 3,7-二甲基尿酸 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 3,7-二甲基尿酸?
The CAS number of 3,7-二甲基尿酸 is 13087-49-5.
What is the molecular formula of 3,7-二甲基尿酸?
The molecular formula of 3,7-二甲基尿酸 is C7H8N4O3.
What is the molecular weight of 3,7-二甲基尿酸?
The molecular weight of 3,7-二甲基尿酸 is 196.06 g/mol.
Where can I buy 3,7-二甲基尿酸?
You can request a quote for 3,7-二甲基尿酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,7-二甲基尿酸?
Yes, KEHONG BIO provides custom synthesis services for 3,7-二甲基尿酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.