1-Methyl-3-acetoxyxanthine
TL;DR: 1-Methyl-3-acetoxyxanthine (CAS 39227-95-7) 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.
(1-methyl-2,6-dioxo-7H-purin-3-yl) acetate
Also Known As: 1-Methyl-3-acetoxyxanthine, 1-methyl-3-acetoxy-xanthine, (1-methyl-2,6-dioxo-7H-purin-3-yl) acetate, 3-acetoxy-1-methyl-3,7-dihydro-1h-purine-2,6-dione, 1-Methyl-2,6-dioxo-1H-purin-3(2H,6H,7H)-yl acetate
| Molecular Formula | C8H8N4O4 |
|---|---|
| Molecular Weight | 224.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 95.6 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 | 39227-95-7 |
|---|---|
| SMILES | CC(=O)ON1C2=C(C(=O)N(C1=O)C)NC=N2 |
| InChIKey | WTYAEKHBLPBAPE-UHFFFAOYSA-N |
Product Overview
1-Methyl-3-acetoxyxanthine (CAS 39227-95-7), with molecular formula C8H8N4O4 and molecular weight 224.05 g/mol. IUPAC: (1-methyl-2,6-dioxo-7H-purin-3-yl) acetate.
Chemical Property Profile of 1-Methyl-3-acetoxyxanthine
Property Insights of 1-Methyl-3-acetoxyxanthine
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methyl-3-acetoxyxanthine. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methyl-3-acetoxyxanthine. Following Lipinski's Rule of Five, 1-Methyl-3-acetoxyxanthine 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 1-Methyl-3-acetoxyxanthine?
The CAS number of 1-Methyl-3-acetoxyxanthine is 39227-95-7.
What is the molecular formula of 1-Methyl-3-acetoxyxanthine?
The molecular formula of 1-Methyl-3-acetoxyxanthine is C8H8N4O4.
What is the molecular weight of 1-Methyl-3-acetoxyxanthine?
The molecular weight of 1-Methyl-3-acetoxyxanthine is 224.05 g/mol.
Where can I buy 1-Methyl-3-acetoxyxanthine?
You can request a quote for 1-Methyl-3-acetoxyxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methyl-3-acetoxyxanthine?
Yes, KEHONG BIO provides custom synthesis services for 1-Methyl-3-acetoxyxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.