Magnesium 7-theophyllineacetate
TL;DR: Magnesium 7-theophyllineacetate (CAS 5090-67-5) is a chemical compound with molecular formula C18H18MgN8O8 and molecular weight 498.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
magnesium bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate)
Also Known As: Magnesium 7-theophyllineacetate, Theophylline 7 acetate de magnesium, C9H10N4O4.1/2Mg, Theophylline 7 acetate de magnesium [French], Magnesium 1,2,3,6-tetrahydro-1,3-dimethyl-2,6-dioxo-7H-purine-7-acetate
| Molecular Formula | C18H18MgN8O8 |
|---|---|
| Molecular Weight | 498.11 g/mol |
| LogP | -6.0136 |
| Topological Polar Surface Area | 197.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 498.1098 |
| Heavy Atoms | 35 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 5090-67-5 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)[O-].CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)[O-].[Mg+2] |
| InChIKey | TYERUTUVDKNUGR-UHFFFAOYSA-L |
Product Overview
Magnesium 7-theophyllineacetate (CAS 5090-67-5), with molecular formula C18H18MgN8O8 and molecular weight 498.11 g/mol. IUPAC: magnesium bis(2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetate).
Chemical Property Profile of Magnesium 7-theophyllineacetate
Property Insights of Magnesium 7-theophyllineacetate
The XLogP value of -6.0136 indicates that Magnesium 7-theophyllineacetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 197.0 Ų indicates high polarity, suggesting Magnesium 7-theophyllineacetate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Magnesium 7-theophyllineacetate has 0 hydrogen bond donor(s) and 10 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 Magnesium 7-theophyllineacetate?
The CAS number of Magnesium 7-theophyllineacetate is 5090-67-5.
What is the molecular formula of Magnesium 7-theophyllineacetate?
The molecular formula of Magnesium 7-theophyllineacetate is C18H18MgN8O8.
What is the molecular weight of Magnesium 7-theophyllineacetate?
The molecular weight of Magnesium 7-theophyllineacetate is 498.11 g/mol.
Where can I buy Magnesium 7-theophyllineacetate?
You can request a quote for Magnesium 7-theophyllineacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Magnesium 7-theophyllineacetate?
Yes, KEHONG BIO provides custom synthesis services for Magnesium 7-theophyllineacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.