Xanthine, 3-hydroxy-7-methyl-, acetate
TL;DR: Xanthine, 3-hydroxy-7-methyl-, acetate (CAS 34618-16-1) is a chemical compound with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(7-methyl-2,6-dioxopurin-3-yl) acetate
Also Known As: 3-Acetoxy-7-methylxanthine, 3-Acetyloxy-7-methylxanthine, 3-Acetoxy-7-methylxanthin, Xanthine, 3-hydroxy-7-methyl-, acetate, (7-methyl-2,6-dioxopurin-3-yl) acetate
| Molecular Formula | C8H8N4O4 |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | -0.7 |
| Topological Polar Surface Area | 93.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 224.05455 |
| Heavy Atoms | 16 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 34618-16-1 |
|---|---|
| SMILES | CC(=O)ON1C2=C(C(=O)NC1=O)N(C=N2)C |
| InChIKey | OVUHDTLUVPEZOZ-UHFFFAOYSA-N |
Product Overview
Xanthine, 3-hydroxy-7-methyl-, acetate (CAS 34618-16-1), with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol. IUPAC: (7-methyl-2,6-dioxopurin-3-yl) acetate.
Chemical Property Profile of Xanthine, 3-hydroxy-7-methyl-, acetate
Property Insights of Xanthine, 3-hydroxy-7-methyl-, acetate
The XLogP value of -0.7 indicates that Xanthine, 3-hydroxy-7-methyl-, acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 93.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Xanthine, 3-hydroxy-7-methyl-, acetate. Following Lipinski's Rule of Five, Xanthine, 3-hydroxy-7-methyl-, acetate has 1 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 Xanthine, 3-hydroxy-7-methyl-, acetate?
The CAS number of Xanthine, 3-hydroxy-7-methyl-, acetate is 34618-16-1.
What is the molecular formula of Xanthine, 3-hydroxy-7-methyl-, acetate?
The molecular formula of Xanthine, 3-hydroxy-7-methyl-, acetate is C8H8N4O4.
What is the molecular weight of Xanthine, 3-hydroxy-7-methyl-, acetate?
The molecular weight of Xanthine, 3-hydroxy-7-methyl-, acetate is 224.05 g/mol.
Where can I buy Xanthine, 3-hydroxy-7-methyl-, acetate?
You can request a quote for Xanthine, 3-hydroxy-7-methyl-, acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Xanthine, 3-hydroxy-7-methyl-, acetate?
Yes, KEHONG BIO provides custom synthesis services for Xanthine, 3-hydroxy-7-methyl-, acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.