8-(Cycloheptyloxy)-caffeine
TL;DR: 8-(Cycloheptyloxy)-caffeine (CAS 73747-31-6) is a chemical compound with molecular formula C15H22N4O3 and molecular weight 306.1692 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
8-cycloheptyloxy-1,3,7-trimethylpurine-2,6-dione
Also Known As: 8-(Cycloheptyloxy)caffeine, 8-Cycloheptyloxycarfeine, 8-Cycloheptyloxycarffeine, 8-(Cycloheptyloxy)-caffeine, CAFFEINE, 8-(CYCLOHEPTYLOXY)-
Technical Specifications
| Molecular Formula | C15H22N4O3 |
| Molecular Weight | 306.1692 g/mol |
| XLogP | 2.2 |
| Topological Polar Surface Area (TPSA) | 67.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 306.1692 Da |
| Heavy Atoms | 22 |
| Complexity | 450.0 |
| SMILES | CN1C2=C(N=C1OC3CCCCCC3)N(C(=O)N(C2=O)C)C |
| InChIKey | ZDVVOJQIAFYYLU-UHFFFAOYSA-N |
Chemical Property Profile of 8-(Cycloheptyloxy)-caffeine
Property Insights of 8-(Cycloheptyloxy)-caffeine
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-(Cycloheptyloxy)-caffeine. The TPSA of 67.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-(Cycloheptyloxy)-caffeine. Following Lipinski's Rule of Five, 8-(Cycloheptyloxy)-caffeine has 0 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 8-(Cycloheptyloxy)-caffeine?
The CAS number of 8-(Cycloheptyloxy)-caffeine is 73747-31-6.
What is the molecular formula of 8-(Cycloheptyloxy)-caffeine?
The molecular formula of 8-(Cycloheptyloxy)-caffeine is C15H22N4O3.
What is the molecular weight of 8-(Cycloheptyloxy)-caffeine?
The molecular weight of 8-(Cycloheptyloxy)-caffeine is 306.1692 g/mol.
Where can I buy 8-(Cycloheptyloxy)-caffeine?
You can request a quote for 8-(Cycloheptyloxy)-caffeine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-(Cycloheptyloxy)-caffeine?
Yes, CoreyChem provides custom synthesis services for 8-(Cycloheptyloxy)-caffeine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.