Theophylline magnesium salicylate
TL;DR: Theophylline magnesium salicylate (CAS 77254-85-4) is a chemical compound with molecular formula C14H14MgN4O5 and molecular weight 342.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
magnesium;1,3-dimethyl-7H-purine-2,6-dione;2-[hydroxy(oxido)methyl]phenolate
Also Known As: Theophylline magnesium salicylate, Theophylline magnesium salicylate pentahydrate, magnesium;1,3-dimethyl-7H-purine-2,6-dione;2-[hydroxy(oxido)methyl]phenolate, Magnesium, (3,7-dihydro-1,3-dimethyl-1H-purine-2,6-dione-N7,O6)(2-hydroxybenzoato(2-)-O1,O2)-, (T-4)-, magnesium; 1,3-dimethyl-7H-purine-2,6-dione; 2-[hydroxy(oxido)methyl]phenolate
| Molecular Formula | C14H14MgN4O5 |
|---|---|
| Molecular Weight | 342.08 g/mol |
| LogP | -2.3091 |
| Topological Polar Surface Area | 136.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 342.08145 |
| Heavy Atoms | 24 |
| Complexity | 372.0 |
Chemical Identifiers
| CAS Number | 77254-85-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC=N2.C1=CC=C(C(=C1)C(O)[O-])[O-].[Mg+2] |
| InChIKey | QMROWKNOXHUYOJ-UHFFFAOYSA-M |
Product Overview
Theophylline magnesium salicylate (CAS 77254-85-4), with molecular formula C14H14MgN4O5 and molecular weight 342.08 g/mol. IUPAC: magnesium;1,3-dimethyl-7H-purine-2,6-dione;2-[hydroxy(oxido)methyl]phenolate.
Chemical Property Profile of Theophylline magnesium salicylate
Property Insights of Theophylline magnesium salicylate
The XLogP value of -2.3091 indicates that Theophylline magnesium salicylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 136.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline magnesium salicylate. Following Lipinski's Rule of Five, Theophylline magnesium salicylate has 2 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 Theophylline magnesium salicylate?
The CAS number of Theophylline magnesium salicylate is 77254-85-4.
What is the molecular formula of Theophylline magnesium salicylate?
The molecular formula of Theophylline magnesium salicylate is C14H14MgN4O5.
What is the molecular weight of Theophylline magnesium salicylate?
The molecular weight of Theophylline magnesium salicylate is 342.08 g/mol.
Where can I buy Theophylline magnesium salicylate?
You can request a quote for Theophylline magnesium salicylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Theophylline magnesium salicylate?
Yes, KEHONG BIO provides custom synthesis services for Theophylline magnesium salicylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.