Isbufylline
TL;DR: Isbufylline (CAS 90162-60-0) is a chemical compound with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione
Also Known As: Isbufylline, Isbufilina, Isbufyllinum, Isbufylline [INN], 7-Isobutyltheophylline
| Molecular Formula | C11H16N4O2 |
|---|---|
| Molecular Weight | 236.13 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 58.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 236.12732 |
| Heavy Atoms | 17 |
| Complexity | 344.0 |
| Solubility | >35.4 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 90162-60-0 |
|---|---|
| SMILES | CC(C)CN1C=NC2=C1C(=O)N(C(=O)N2C)C |
| InChIKey | WHUWQSQEVISUMC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isbufylline (CAS 90162-60-0), with molecular formula C11H16N4O2 and molecular weight 236.13 g/mol. IUPAC: 1,3-dimethyl-7-(2-methylpropyl)purine-2,6-dione.
Chemical Property Profile of Isbufylline
Property Insights of Isbufylline
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isbufylline. With a topological polar surface area (TPSA) of 58.4 Ų, Isbufylline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isbufylline 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
Frequently Asked Questions
What is the CAS number of Isbufylline?
The CAS number of Isbufylline is 90162-60-0.
What is the molecular formula of Isbufylline?
The molecular formula of Isbufylline is C11H16N4O2.
What is the molecular weight of Isbufylline?
The molecular weight of Isbufylline is 236.13 g/mol.
Where can I buy Isbufylline?
You can request a quote for Isbufylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isbufylline?
Yes, KEHONG BIO provides custom synthesis services for Isbufylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.