Pentoxifylline
TL;DR: Pentoxifylline (CAS 6493-05-6) is a chemical compound with molecular formula C13H18N4O3 and molecular weight 278.13788 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3,7-dimethyl-1-(5-oxohexyl)purine-2,6-dione
Also Known As: pentoxifylline, Trental, Oxpentifylline, Pentoxil, Pentoxifyllin
Application Areas
Top 5 of 18 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C13H18N4O3 |
| Molecular Weight | 278.13788 g/mol |
| XLogP | 0.3 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 278.13788 Da |
| Heavy Atoms | 20 |
| Complexity | 426.0 |
| Melting Point | 105 |
| Solubility | 77000 |
| SMILES | CC(=O)CCCCN1C(=O)C2=C(N=CN2C)N(C1=O)C |
| InChIKey | BYPFEZZEUUWMEJ-UHFFFAOYSA-N |
Product Description
Applications: Pentoxifylline is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and custom-synthesis project (mg to ton scale), with full analytical documentation (COA, MSDS, HPLC, NMR, MS).
A pharmaceutical intermediate supplied by CoreyChem, Pentoxifylline (CAS 6493-05-6) has the molecular formula C13H18N4O3 and a molecular weight of 278.14 g/mol. Reported properties include a solubility: 77000. Synonyms include pentoxifylline and Trental.
Custom synthesis and full analytical documentation (COA/MSDS) are available from CoreyChem. Request a quotation with your required quantity and purity for current lead time and pricing.
Chemical Property Profile of Pentoxifylline
Property Insights of Pentoxifylline
The XLogP value of 0.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentoxifylline. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Pentoxifylline. Following Lipinski's Rule of Five, Pentoxifylline 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 Pentoxifylline?
The CAS number of Pentoxifylline is 6493-05-6.
What is the molecular formula of Pentoxifylline?
The molecular formula of Pentoxifylline is C13H18N4O3.
What is the molecular weight of Pentoxifylline?
The molecular weight of Pentoxifylline is 278.13788 g/mol.
What are the applications of Pentoxifylline?
Pentoxifylline is used in pharmaceutical synthesis routes and API production, as well as heterocycle construction in medicinal chemistry and agrochemical discovery. It commonly serves as a versatile building block for organic synthesis. Available from CoreyChem as both catalog item and...
Where can I buy Pentoxifylline?
You can request a quote for Pentoxifylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Pentoxifylline?
Yes, CoreyChem provides custom synthesis services for Pentoxifylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.