Xanthinol Nicotinate
TL;DR: Xanthinol Nicotinate (CAS 437-74-1) is a chemical compound with molecular formula C19H26N6O6 and molecular weight 434.19 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;pyridine-3-carboxylic acid
Also Known As: Xanthinol nicotinate, XANTHINOL NIACINATE, Complamin, Xantinol nicotinate, Angioamin
| Molecular Formula | C19H26N6O6 |
|---|---|
| Molecular Weight | 434.19 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 152.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 434.19138 |
| Heavy Atoms | 31 |
| Complexity | 548.0 |
| Solubility | >65.2 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 437-74-1 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(CN(C)CCO)O.C1=CC(=CN=C1)C(=O)O |
| InChIKey | GEPMAHVDJHFBJI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Xanthinol Nicotinate (CAS 437-74-1), with molecular formula C19H26N6O6 and molecular weight 434.19 g/mol. IUPAC: 7-[2-hydroxy-3-[2-hydroxyethyl(methyl)amino]propyl]-1,3-dimethylpurine-2,6-dione;pyridine-3-carboxylic acid.
Chemical Property Profile of Xanthinol Nicotinate
Property Insights of Xanthinol Nicotinate
The XLogP value of -1.5 indicates that Xanthinol Nicotinate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 152.0 Ų indicates high polarity, suggesting Xanthinol Nicotinate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Xanthinol Nicotinate has 3 hydrogen bond donor(s) and 9 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 Nicotinate?
The CAS number of Xanthinol Nicotinate is 437-74-1.
What is the molecular formula of Xanthinol Nicotinate?
The molecular formula of Xanthinol Nicotinate is C19H26N6O6.
What is the molecular weight of Xanthinol Nicotinate?
The molecular weight of Xanthinol Nicotinate is 434.19 g/mol.
Where can I buy Xanthinol Nicotinate?
You can request a quote for Xanthinol Nicotinate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthinol Nicotinate?
Yes, KEHONG BIO provides custom synthesis services for Xanthinol Nicotinate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.