苦茶碱
TL;DR: 苦茶碱 (CAS 2309-49-1) is a chemical compound with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
苦茶碱
1,3,7,9-tetramethylpurine-2,6,8-trione
Also Known As: Tetramethyluric acid, theacrine, Temurin, Temorine, 1,3,7,9-Tetramethyluric acid
| Molecular Formula | C9H12N4O3 |
|---|---|
| Molecular Weight | 224.09 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 64.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.09094 |
| Heavy Atoms | 16 |
| Complexity | 442.0 |
| Solubility | 25 mg/mL at 20 °C |
Chemical Identifiers
| CAS Number | 2309-49-1 |
|---|---|
| SMILES | CN1C2=C(N(C1=O)C)N(C(=O)N(C2=O)C)C |
| InChIKey | QGDOQULISIQFHQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
苦茶碱 (CAS 2309-49-1), with molecular formula C9H12N4O3 and molecular weight 224.09 g/mol. IUPAC: 1,3,7,9-tetramethylpurine-2,6,8-trione.
Chemical Property Profile of 苦茶碱
Property Insights of 苦茶碱
The XLogP value of -0.2 indicates that 苦茶碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 苦茶碱. Following Lipinski's Rule of Five, 苦茶碱 has 0 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 苦茶碱?
The CAS number of 苦茶碱 is 2309-49-1.
What is the molecular formula of 苦茶碱?
The molecular formula of 苦茶碱 is C9H12N4O3.
What is the molecular weight of 苦茶碱?
The molecular weight of 苦茶碱 is 224.09 g/mol.
Where can I buy 苦茶碱?
You can request a quote for 苦茶碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 苦茶碱?
Yes, KEHONG BIO provides custom synthesis services for 苦茶碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.