8-Allyltheophylline
TL;DR: 8-Allyltheophylline (CAS 74039-62-6) is a chemical compound with molecular formula C10H12N4O2 and molecular weight 220.09602 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
Also Known As: 8-Allyltheophylline, Theophylline, 8-allyl-, 8-Allyltheophyline, KST-1B8515, 1,3-dimethyl-8-prop-2-enyl-7H-purine-2,6-dione
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C10H12N4O2 |
| Molecular Weight | 220.09602 g/mol |
| XLogP | 1.1 |
| Topological Polar Surface Area (TPSA) | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.09602 Da |
| Heavy Atoms | 16 |
| Complexity | 344.0 |
| SMILES | CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CC=C |
| InChIKey | SUFDPQNULQXJTM-UHFFFAOYSA-N |
Chemical Property Profile of 8-Allyltheophylline
Property Insights of 8-Allyltheophylline
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 8-Allyltheophylline. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 8-Allyltheophylline. Following Lipinski's Rule of Five, 8-Allyltheophylline 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-Allyltheophylline?
The CAS number of 8-Allyltheophylline is 74039-62-6.
What is the molecular formula of 8-Allyltheophylline?
The molecular formula of 8-Allyltheophylline is C10H12N4O2.
What is the molecular weight of 8-Allyltheophylline?
The molecular weight of 8-Allyltheophylline is 220.09602 g/mol.
Where can I buy 8-Allyltheophylline?
You can request a quote for 8-Allyltheophylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 8-Allyltheophylline?
Yes, CoreyChem provides custom synthesis services for 8-Allyltheophylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.