2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane
TL;DR: 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane (CAS 80020-29-7) is a chemical compound with molecular formula C14H18N4O6 and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-1,3-dioxolan-2-yl]methyl acetate
Also Known As: 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane, 1H-Purine-2,6-dione, 3,7-dihydro-7-((2-(acetyloxymethyl)-1,3-dioxolan-4-yl)methyl)-1,3-dimethyl-, [4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-1,3-dioxolan-2, [4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-1,3-dioxolan-2-yl]methyl acetate, {4-[(1,3-Dimethyl-2,6-dioxo-1,2,3,6-tetrahydro-7H-purin-7-yl)methyl]-1,3-dioxolan-2-yl}methyl acetate
| Molecular Formula | C14H18N4O6 |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | -1.2617 |
| Topological Polar Surface Area | 106.58 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 338.12262 |
| Heavy Atoms | 24 |
| Complexity | 895.02734 |
Chemical Identifiers
| CAS Number | 80020-29-7 |
|---|---|
| SMILES | CC(=O)OCC1OCC(O1)CN2C=NC3=C2C(=O)N(C(=O)N3C)C |
Product Overview
2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane (CAS 80020-29-7), with molecular formula C14H18N4O6 and molecular weight 338.12 g/mol. IUPAC: [4-[(1,3-dimethyl-2,6-dioxopurin-7-yl)methyl]-1,3-dioxolan-2-yl]methyl acetate.
Chemical Property Profile of 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane
Property Insights of 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane
The XLogP value of -1.2617 indicates that 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 106.58 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane. Following Lipinski's Rule of Five, 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane has 0 hydrogen bond donor(s) and 7 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 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane?
The CAS number of 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane is 80020-29-7.
What is the molecular formula of 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane?
The molecular formula of 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane is C14H18N4O6.
What is the molecular weight of 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane?
The molecular weight of 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane is 338.12 g/mol.
Where can I buy 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane?
You can request a quote for 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetoxymethyl-4-(7'-theophyllinylmethyl)dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.