7-Hydroxytheophylline
TL;DR: 7-Hydroxytheophylline (CAS 1012-82-4) is a chemical compound with molecular formula C7H8N4O3 and molecular weight 196.05965 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-hydroxy-1,3-dimethylpurine-2,6-dione
Also Known As: 7-Hydroxytheophylline, 7-Hydroxytheophyllin, 7-Hydroxytheophyllin [German], 7-Hydroxytheophyline, Theophylline, 7-hydroxy-
Technical Specifications
| Molecular Formula | C7H8N4O3 |
| Molecular Weight | 196.05965 g/mol |
| XLogP | 0.6 |
| Topological Polar Surface Area (TPSA) | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 196.05965 Da |
| Heavy Atoms | 14 |
| Complexity | 295.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)O |
| InChIKey | OAJZHQGFGXPEPA-UHFFFAOYSA-N |
Chemical Property Profile of 7-Hydroxytheophylline
Property Insights of 7-Hydroxytheophylline
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Hydroxytheophylline. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 7-Hydroxytheophylline. Following Lipinski's Rule of Five, 7-Hydroxytheophylline has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 7-Hydroxytheophylline?
The CAS number of 7-Hydroxytheophylline is 1012-82-4.
What is the molecular formula of 7-Hydroxytheophylline?
The molecular formula of 7-Hydroxytheophylline is C7H8N4O3.
What is the molecular weight of 7-Hydroxytheophylline?
The molecular weight of 7-Hydroxytheophylline is 196.05965 g/mol.
Where can I buy 7-Hydroxytheophylline?
You can request a quote for 7-Hydroxytheophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Hydroxytheophylline?
Yes, CoreyChem provides custom synthesis services for 7-Hydroxytheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.