2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane
TL;DR: 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane (CAS 80020-19-5) is a chemical compound with molecular formula C12H15BrN4O4 and molecular weight 358.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methyl]-1,3-dimethylpurine-2,6-dione
Also Known As: 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane, 3,7-Dihydro-7-((2-(bromomethyl)-1,3-dioxolan-4-yl)methyl)-1,3-dimethyl-1H-purine-2,6-dione, 1H-Purine-2,6-dione, 3,7-dihydro-7-((2-(bromomethyl)-1,3-dioxolan-4-yl)methyl)-1,3-dimethyl-, 7-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methyl]-1,3-dimethylpu, 7-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methyl]-1,3-dimethylpurine-2,6-dione
| Molecular Formula | C12H15BrN4O4 |
|---|---|
| Molecular Weight | 358.03 g/mol |
| LogP | -0.4299 |
| Topological Polar Surface Area | 80.28 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 358.02768 |
| Heavy Atoms | 21 |
| Complexity | 792.87695 |
Chemical Identifiers
| CAS Number | 80020-19-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3COC(O3)CBr |
Product Overview
2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane (CAS 80020-19-5), with molecular formula C12H15BrN4O4 and molecular weight 358.03 g/mol. IUPAC: 7-[[2-(bromomethyl)-1,3-dioxolan-4-yl]methyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane
Property Insights of 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane
The XLogP value of -0.4299 indicates that 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 80.28 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane. Following Lipinski's Rule of Five, 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane has 0 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 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane?
The CAS number of 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane is 80020-19-5.
What is the molecular formula of 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane?
The molecular formula of 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane is C12H15BrN4O4.
What is the molecular weight of 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane?
The molecular weight of 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane is 358.03 g/mol.
Where can I buy 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane?
You can request a quote for 2-Bromomethyl-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-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane?
Yes, KEHONG BIO provides custom synthesis services for 2-Bromomethyl-4-(7'-theophyllinylmethyl)dioxolane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.