8-(2-Cyclopentylethyl)theophylline
TL;DR: 8-(2-Cyclopentylethyl)theophylline (CAS 74039-71-7) is a chemical compound with molecular formula C14H20N4O2 and molecular weight 276.15863 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-(2-cyclopentylethyl)-1,3-dimethyl-7H-purine-2,6-dione
Also Known As: 8- theophyline, 8-(2-Cyclopentylethyl)theophylline, Theophylline, 8-(2-cyclopentylethyl)-, NCIOpen2_006760, 8-(2-Cyclopentylethyl)theophyline
Technical Specifications
| Molecular Formula | C14H20N4O2 |
| Molecular Weight | 276.15863 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.15863 Da |
| Heavy Atoms | 20 |
| Complexity | 408.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCC3CCCC3 |
| InChIKey | UJPJSYWSTXMOQB-UHFFFAOYSA-N |
Chemical Property Profile of 8-(2-Cyclopentylethyl)theophylline
Property Insights of 8-(2-Cyclopentylethyl)theophylline
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(2-Cyclopentylethyl)theophylline. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(2-Cyclopentylethyl)theophylline. Following Lipinski's Rule of Five, 8-(2-Cyclopentylethyl)theophylline has 1 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 8-(2-Cyclopentylethyl)theophylline?
The CAS number of 8-(2-Cyclopentylethyl)theophylline is 74039-71-7.
What is the molecular formula of 8-(2-Cyclopentylethyl)theophylline?
The molecular formula of 8-(2-Cyclopentylethyl)theophylline is C14H20N4O2.
What is the molecular weight of 8-(2-Cyclopentylethyl)theophylline?
The molecular weight of 8-(2-Cyclopentylethyl)theophylline is 276.15863 g/mol.
Where can I buy 8-(2-Cyclopentylethyl)theophylline?
You can request a quote for 8-(2-Cyclopentylethyl)theophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-(2-Cyclopentylethyl)theophylline?
Yes, CoreyChem provides custom synthesis services for 8-(2-Cyclopentylethyl)theophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.