2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate
TL;DR: 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate (CAS 18623-34-2) is a chemical compound with molecular formula C10H16N4O6S and molecular weight 320.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl sulfate;1,3,7,9-tetramethylpurin-9-ium-2,6-dione
Also Known As: 1,3,7,9-tetramethylxanthinium methylsulfate, 1,3,7,9-tetramethylxanthinium methyl sulfate, 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate, methyl sulfate;1,3,7,9-tetramethylpurin-9-ium-2,6-dione, methyl sulfate; 1,3,7,9-tetramethylpurin-9-ium-2,6-dione
| Molecular Formula | C10H16N4O6S |
|---|---|
| Molecular Weight | 320.08 g/mol |
| LogP | -2.5068 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.07904 |
| Heavy Atoms | 21 |
| Complexity | 410.0 |
Chemical Identifiers
| CAS Number | 18623-34-2 |
|---|---|
| SMILES | CN1C=[N+](C2=C1C(=O)N(C(=O)N2C)C)C.COS(=O)(=O)[O-] |
| InChIKey | CODOGAUIMIDHBR-UHFFFAOYSA-M |
Product Overview
2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate (CAS 18623-34-2), with molecular formula C10H16N4O6S and molecular weight 320.08 g/mol. IUPAC: methyl sulfate;1,3,7,9-tetramethylpurin-9-ium-2,6-dione.
Chemical Property Profile of 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate
Property Insights of 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate
The XLogP value of -2.5068 indicates that 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate. Following Lipinski's Rule of Five, 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate has 0 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 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate?
The CAS number of 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate is 18623-34-2.
What is the molecular formula of 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate?
The molecular formula of 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate is C10H16N4O6S.
What is the molecular weight of 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate?
The molecular weight of 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate is 320.08 g/mol.
Where can I buy 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate?
You can request a quote for 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate?
Yes, KEHONG BIO provides custom synthesis services for 2,3,6,9-Tetrahydro-1,3,7,9-tetramethyl-2,6-dioxo-1H-purinium methyl sulphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.