3-Acetoxyxanthine
TL;DR: 3-Acetoxyxanthine (CAS 22052-01-3) is a chemical compound with molecular formula C7H6N4O4 and molecular weight 210.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,6-dioxo-7H-purin-3-yl) acetate
Also Known As: 3-Acetoxyxanthine, Xanthine, 3-acetoxy-, 3-Hydroxyxanthine acetate, Xanthine, 3-hydroxy-, acetate, Xanthine,3-hydroxy-,acetate
| Molecular Formula | C7H6N4O4 |
|---|---|
| Molecular Weight | 210.04 g/mol |
| LogP | -0.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 210.03891 |
| Heavy Atoms | 15 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 22052-01-3 |
|---|---|
| SMILES | CC(=O)ON1C2=C(C(=O)NC1=O)NC=N2 |
| InChIKey | JFZOYDLNLQWKIZ-UHFFFAOYSA-N |
Product Overview
3-Acetoxyxanthine (CAS 22052-01-3), with molecular formula C7H6N4O4 and molecular weight 210.04 g/mol. IUPAC: (2,6-dioxo-7H-purin-3-yl) acetate.
Chemical Property Profile of 3-Acetoxyxanthine
Property Insights of 3-Acetoxyxanthine
The XLogP value of -0.6 indicates that 3-Acetoxyxanthine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetoxyxanthine. Following Lipinski's Rule of Five, 3-Acetoxyxanthine has 2 hydrogen bond donor(s) and 5 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 3-Acetoxyxanthine?
The CAS number of 3-Acetoxyxanthine is 22052-01-3.
What is the molecular formula of 3-Acetoxyxanthine?
The molecular formula of 3-Acetoxyxanthine is C7H6N4O4.
What is the molecular weight of 3-Acetoxyxanthine?
The molecular weight of 3-Acetoxyxanthine is 210.04 g/mol.
Where can I buy 3-Acetoxyxanthine?
You can request a quote for 3-Acetoxyxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxyxanthine?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxyxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.