Denbufylline
TL;DR: Denbufylline (CAS 57076-71-8) is a chemical compound with molecular formula C16H24N4O3 and molecular weight 320.18484 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
1,3-dibutyl-7-(2-oxopropyl)purine-2,6-dione
Also Known As: denbufylline, Denbufilina, Denbufyllinum, Denbufilina [Spanish], Denbufyllinum [Latin]
Application Areas
Top 5 of 11 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C16H24N4O3 |
| Molecular Weight | 320.18484 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 75.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 320.18484 Da |
| Heavy Atoms | 23 |
| Complexity | 468.0 |
| SMILES | CCCCN1C2=C(C(=O)N(C1=O)CCCC)N(C=N2)CC(=O)C |
| InChIKey | HJPRDDKCXVCFOH-UHFFFAOYSA-N |
Product Description
Applications: Denbufylline 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. CoreyChem supplies Denbufylline (CAS 57076-71-8) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.
Denbufylline (CAS 57076-71-8) is a pharmaceutical intermediate with the molecular formula C16H24N4O3 and a molecular weight of 320.18 g/mol. It is also known as denbufylline and Denbufilina.
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 Denbufylline
Property Insights of Denbufylline
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Denbufylline. The TPSA of 75.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Denbufylline. Following Lipinski's Rule of Five, Denbufylline 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 Denbufylline?
The CAS number of Denbufylline is 57076-71-8.
What is the molecular formula of Denbufylline?
The molecular formula of Denbufylline is C16H24N4O3.
What is the molecular weight of Denbufylline?
The molecular weight of Denbufylline is 320.18484 g/mol.
What are the applications of Denbufylline?
Denbufylline 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. CoreyChem supplies Denbufylline (CAS 57076-71-8) with custom...
Where can I buy Denbufylline?
You can request a quote for Denbufylline directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Denbufylline?
Yes, CoreyChem provides custom synthesis services for Denbufylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.