7-Ethyltheophylline
TL;DR: 7-Ethyltheophylline (CAS 23043-88-1) is a chemical compound with molecular formula C9H12N4O2 and molecular weight 208.09602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
7-ethyl-1,3-dimethylpurine-2,6-dione
Also Known As: 7-Ethyltheophylline, Ethyltheophylline, 7-Ethyl Theophylline, Ethylteofyllin, Theophylline, 7-ethyl-
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12N4O2 |
| Molecular Weight | 208.09602 g/mol |
| XLogP | -0.2 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 208.09602 Da |
| Heavy Atoms | 15 |
| Complexity | 306.0 |
| SMILES | CCN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | RPOQNHMXOPWCEK-UHFFFAOYSA-N |
Chemical Property Profile of 7-Ethyltheophylline
Property Insights of 7-Ethyltheophylline
The XLogP value of -0.2 indicates that 7-Ethyltheophylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 58.4 Ų, 7-Ethyltheophylline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Ethyltheophylline has 0 hydrogen bond donor(s) and 3 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-Ethyltheophylline?
The CAS number of 7-Ethyltheophylline is 23043-88-1.
What is the molecular formula of 7-Ethyltheophylline?
The molecular formula of 7-Ethyltheophylline is C9H12N4O2.
What is the molecular weight of 7-Ethyltheophylline?
The molecular weight of 7-Ethyltheophylline is 208.09602 g/mol.
Where can I buy 7-Ethyltheophylline?
You can request a quote for 7-Ethyltheophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 7-Ethyltheophylline?
Yes, CoreyChem provides custom synthesis services for 7-Ethyltheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.