Mercurophylline
TL;DR: Mercurophylline (CAS 8012-34-8) is a chemical compound with molecular formula C21H32HgN5NaO7 and molecular weight 691.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium;1,3-dimethyl-7H-purine-2,6-dione;mercury(2+);3-(2-methoxypropylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate;hydroxide
Also Known As: Novurit, Mercuzanthin, Mercupurin, Merthylline, Mercuzan
| Molecular Formula | C21H32HgN5NaO7 |
|---|---|
| Molecular Weight | 691.19 g/mol |
| LogP | -4.07 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 691.1906 |
| Heavy Atoms | 35 |
| Complexity | 628.0 |
Chemical Identifiers
| CAS Number | 8012-34-8 |
|---|---|
| SMILES | CC1(C(CCC1(C)C(=O)[O-])C(=O)NCC([CH2-])OC)C.CN1C2=C(C(=O)N(C1=O)C)NC=N2.[OH-].[Na+].[Hg+2] |
| InChIKey | JTDRBSMSKQRBGT-UHFFFAOYSA-L |
Product Overview
Mercurophylline (CAS 8012-34-8), with molecular formula C21H32HgN5NaO7 and molecular weight 691.19 g/mol. IUPAC: sodium;1,3-dimethyl-7H-purine-2,6-dione;mercury(2+);3-(2-methoxypropylcarbamoyl)-1,2,2-trimethylcyclopentane-1-carboxylate;hydroxide.
Chemical Property Profile of Mercurophylline
Property Insights of Mercurophylline
The XLogP value of -4.07 indicates that Mercurophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 149.0 Ų indicates high polarity, suggesting Mercurophylline may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mercurophylline has 3 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Mercurophylline?
The CAS number of Mercurophylline is 8012-34-8.
What is the molecular formula of Mercurophylline?
The molecular formula of Mercurophylline is C21H32HgN5NaO7.
What is the molecular weight of Mercurophylline?
The molecular weight of Mercurophylline is 691.19 g/mol.
Where can I buy Mercurophylline?
You can request a quote for Mercurophylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mercurophylline?
Yes, KEHONG BIO provides custom synthesis services for Mercurophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.