Xanthinol
TL;DR: Xanthinol (CAS 2530-97-4) is a chemical compound with molecular formula C13H21N5O4 and molecular weight 311.15936 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Xanthinol, xantinol, Jupal, Xaninthol, Xavin
Application Areas
Top 5 of 8 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H21N5O4 |
| Molecular Weight | 311.15936 g/mol |
| XLogP | -1.8 |
| Topological Polar Surface Area (TPSA) | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15936 Da |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
| Melting Point | 179-180 ºC |
| Boiling Point | 589.3 |
| Solubility | <1 mg/mL |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O |
| InChIKey | DSFGXPJYDCSWTA-UHFFFAOYSA-N |
Product Description
Applications: Xanthinol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Xanthinol (CAS 2530-97-4) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
A pharmaceutical intermediate supplied by CoreyChem, Xanthinol (CAS 2530-97-4) has the molecular formula C13H21N5O4 and a molecular weight of 311.16 g/mol. Reported properties include a solubility: <1 mg/mL. It is also known as Xanthinol and xantinol.
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 Xanthinol
Property Insights of Xanthinol
The XLogP value of -1.8 indicates that Xanthinol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 102.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthinol. Following Lipinski's Rule of Five, Xanthinol has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Xanthinol?
The CAS number of Xanthinol is 2530-97-4.
What is the molecular formula of Xanthinol?
The molecular formula of Xanthinol is C13H21N5O4.
What is the molecular weight of Xanthinol?
The molecular weight of Xanthinol is 311.15936 g/mol.
What are the applications of Xanthinol?
Xanthinol is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies Xanthinol (CAS 2530-97-4) with custom...
Where can I buy Xanthinol?
You can request a quote for Xanthinol directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Xanthinol?
Yes, CoreyChem provides custom synthesis services for Xanthinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.