3-Acetoxy-8-azaxanthine
TL;DR: 3-Acetoxy-8-azaxanthine (CAS 39243-92-0) is a chemical compound with molecular formula C6H5N5O4 and molecular weight 211.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5,7-dioxo-2H-triazolo[4,5-d]pyrimidin-4-yl) acetate
Also Known As: 3-Acetoxy-8-azaxanthine, 3-Acetoxy-8-azaxanthin, (5,7-dioxo-2H-triazolo[4,5-d]pyrimidin-4-yl) acetate, 1H-1,2,3-Triazolo(4,5-d)pyrimidine-5,7-(4H,6H)-dione, 4-(acetyloxy)-, 4-(Acetyloxy)-1H-1,2,3-triazolo(4,5-d)pyrimidine-5,7-(4H,6H)-dione
| Molecular Formula | C6H5N5O4 |
|---|---|
| Molecular Weight | 211.03 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 211.03415 |
| Heavy Atoms | 15 |
| Complexity | 331.0 |
Chemical Identifiers
| CAS Number | 39243-92-0 |
|---|---|
| SMILES | CC(=O)ON1C2=NNN=C2C(=O)NC1=O |
| InChIKey | HDJMLCVWZXVPGB-UHFFFAOYSA-N |
Product Overview
3-Acetoxy-8-azaxanthine (CAS 39243-92-0), with molecular formula C6H5N5O4 and molecular weight 211.03 g/mol. IUPAC: (5,7-dioxo-2H-triazolo[4,5-d]pyrimidin-4-yl) acetate.
Chemical Property Profile of 3-Acetoxy-8-azaxanthine
Property Insights of 3-Acetoxy-8-azaxanthine
The XLogP value of -0.9 indicates that 3-Acetoxy-8-azaxanthine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Acetoxy-8-azaxanthine. Following Lipinski's Rule of Five, 3-Acetoxy-8-azaxanthine 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 3-Acetoxy-8-azaxanthine?
The CAS number of 3-Acetoxy-8-azaxanthine is 39243-92-0.
What is the molecular formula of 3-Acetoxy-8-azaxanthine?
The molecular formula of 3-Acetoxy-8-azaxanthine is C6H5N5O4.
What is the molecular weight of 3-Acetoxy-8-azaxanthine?
The molecular weight of 3-Acetoxy-8-azaxanthine is 211.03 g/mol.
Where can I buy 3-Acetoxy-8-azaxanthine?
You can request a quote for 3-Acetoxy-8-azaxanthine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Acetoxy-8-azaxanthine?
Yes, KEHONG BIO provides custom synthesis services for 3-Acetoxy-8-azaxanthine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.