Pentifylline
TL;DR: Pentifylline (CAS 1028-33-7) is a chemical compound with molecular formula C13H20N4O2 and molecular weight 264.15863 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1-hexyl-3,7-dimethylpurine-2,6-dione
Also Known As: Pentifylline, 1-n-hexyltheobromine, 1-Hexyltheobromine, Hexyltheobromine, Pentifilina
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H20N4O2 |
| Molecular Weight | 264.15863 g/mol |
| XLogP | 2.3 |
| Topological Polar Surface Area (TPSA) | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.15863 Da |
| Heavy Atoms | 19 |
| Complexity | 361.0 |
| SMILES | CCCCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C |
| InChIKey | MRWQRJMESRRJJB-UHFFFAOYSA-N |
Chemical Property Profile of Pentifylline
Property Insights of Pentifylline
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentifylline. With a topological polar surface area (TPSA) of 58.4 Ų, Pentifylline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentifylline 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 Pentifylline?
The CAS number of Pentifylline is 1028-33-7.
What is the molecular formula of Pentifylline?
The molecular formula of Pentifylline is C13H20N4O2.
What is the molecular weight of Pentifylline?
The molecular weight of Pentifylline is 264.15863 g/mol.
Where can I buy Pentifylline?
You can request a quote for Pentifylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentifylline?
Yes, CoreyChem provides custom synthesis services for Pentifylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.