Theophylline, 8-cinnamyl-
TL;DR: Theophylline, 8-cinnamyl- (CAS 74039-67-1) is a chemical compound with molecular formula C16H16N4O2 and molecular weight 296.12732 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-8-(3-phenylprop-2-enyl)-7H-purine-2,6-dione
Also Known As: Theophylline, 8-cinnamyl-, 8-CINNAMYLTHEOPHYLLINE, 8-Cinnamyl-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, 1,3-dimethyl-8-(3-phenylprop-2-enyl)-7H-purine-2,6-dione, 1,3-dimethyl-8-[(2E)-3-phenylprop-2-en-1-yl]-2,3,6,7-tetrahydro-1H-purine-2,6-dione
Technical Specifications
| Molecular Formula | C16H16N4O2 |
| Molecular Weight | 296.12732 g/mol |
| XLogP | 3.1 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 296.12732 Da |
| Heavy Atoms | 22 |
| Complexity | 473.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC=CC3=CC=CC=C3 |
| InChIKey | GJSSSUBMGXKITK-UHFFFAOYSA-N |
Chemical Property Profile of Theophylline, 8-cinnamyl-
Property Insights of Theophylline, 8-cinnamyl-
The XLogP value of 3.1 indicates that Theophylline, 8-cinnamyl- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Theophylline, 8-cinnamyl-. Following Lipinski's Rule of Five, Theophylline, 8-cinnamyl- 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 Theophylline, 8-cinnamyl-?
The CAS number of Theophylline, 8-cinnamyl- is 74039-67-1.
What is the molecular formula of Theophylline, 8-cinnamyl-?
The molecular formula of Theophylline, 8-cinnamyl- is C16H16N4O2.
What is the molecular weight of Theophylline, 8-cinnamyl-?
The molecular weight of Theophylline, 8-cinnamyl- is 296.12732 g/mol.
Where can I buy Theophylline, 8-cinnamyl-?
You can request a quote for Theophylline, 8-cinnamyl- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Theophylline, 8-cinnamyl-?
Yes, CoreyChem provides custom synthesis services for Theophylline, 8-cinnamyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.