![[5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate structure](/static/products/800/80035-40-1.png)
[5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
TL;DR: [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CAS 80035-40-1) is a chemical compound with molecular formula C19H23N5O8 and molecular weight 449.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
Also Known As: [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate|7-(2-Acetamido-4,6-di-O-acetyl-2,3-dideoxyhex-2-enopyranosyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C19H23N5O8 |
|---|---|
| Molecular Weight | 449.15 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.15466 |
| Heavy Atoms | 32 |
| Complexity | 861.0 |
Chemical Identifiers
| CAS Number | 80035-40-1 |
|---|---|
| SMILES | CC(=O)NC1=CC(C(OC1N2C=NC3=C2C(=O)N(C(=O)N3C)C)COC(=O)C)OC(=O)C |
| InChIKey | JMIAAZVPASGUIW-UHFFFAOYSA-N |
Product Overview
[5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate (CAS 80035-40-1), with molecular formula C19H23N5O8 and molecular weight 449.15 g/mol. IUPAC: [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate.
Chemical Property Profile of [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
Property Insights of [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate
The XLogP value of -1.3 indicates that [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate has 1 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 [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The CAS number of [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is 80035-40-1.
What is the molecular formula of [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The molecular formula of [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is C19H23N5O8.
What is the molecular weight of [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
The molecular weight of [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate is 449.15 g/mol.
Where can I buy [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
You can request a quote for [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for [5-acetamido-3-acetyloxy-6-(1,3-dimethyl-2,6-dioxopurin-7-yl)-3,6-dihydro-2H-pyran-2-yl]methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.