Xanthinol
TL;DR: Xanthinol (CAS 2530-97-4) is a chemical compound with molecular formula C13H21N5O4 and molecular weight 311.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione
Also Known As: Xanthinol, xantinol, Jupal, Xaninthol, Xavin
| Molecular Formula | C13H21N5O4 |
|---|---|
| Molecular Weight | 311.16 g/mol |
| LogP | -1.8 |
| Topological Polar Surface Area | 102.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 311.15936 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
| Melting Point | 179-180 ºC |
| Boiling Point | 589.3 |
| Solubility | <1 mg/mL |
Chemical Identifiers
| CAS Number | 2530-97-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O |
| InChIKey | DSFGXPJYDCSWTA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xanthinol (CAS 2530-97-4), with molecular formula C13H21N5O4 and molecular weight 311.16 g/mol. IUPAC: 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione.
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
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 311.16 g/mol.
Where can I buy Xanthinol?
You can request a quote for Xanthinol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthinol?
Yes, KEHONG BIO provides custom synthesis services for Xanthinol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.