Xanthine
TL;DR: Xanthine (CAS 69-89-6) is a chemical compound with molecular formula C5H4N4O2 and molecular weight 152.03343 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dihydropurine-2,6-dione
Also Known As: xanthine, 2,6-Dihydroxypurine, Xanthin, 2,6-dioxopurine, Isoxanthine
Application Areas
Top 5 of 22 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C5H4N4O2 |
| Molecular Weight | 152.03343 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 86.9 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 152.03343 Da |
| Heavy Atoms | 11 |
| Complexity | 217.0 |
| Melting Point | > 300 °C |
| Solubility | 69 |
| SMILES | C1=NC2=C(N1)C(=O)NC(=O)N2 |
| InChIKey | LRFVTYWOQMYALW-UHFFFAOYSA-N |
Product Description
Applications: Xanthine is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
Xanthine (CAS 69-89-6) is a pharmaceutical intermediate with the molecular formula C5H4N4O2 and a molecular weight of 152.03 g/mol. Key physical properties include a solubility: 69. Synonyms include xanthine and 2,6-Dihydroxypurine.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Xanthine
Property Insights of Xanthine
The XLogP value of -0.7 indicates that Xanthine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthine. Following Lipinski's Rule of Five, Xanthine 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
What is the CAS number of Xanthine?
The CAS number of Xanthine is 69-89-6.
What is the molecular formula of Xanthine?
The molecular formula of Xanthine is C5H4N4O2.
What is the molecular weight of Xanthine?
The molecular weight of Xanthine is 152.03343 g/mol.
What are the applications of Xanthine?
Xanthine is used in pharmaceutical synthesis routes and API production, as well as biotechnology workflows and life-science research. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton...
Where can I buy Xanthine?
You can request a quote for Xanthine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Xanthine?
Yes, CoreyChem provides custom synthesis services for Xanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.