Torbafylline
TL;DR: Torbafylline (CAS 105102-21-4) is a chemical compound with molecular formula C16H26N4O4 and molecular weight 338.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-(ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione
Also Known As: Torbafylline, Torbafilina, Torbafyllinum, Torbaphylline, Torbafylline [INN]
| Molecular Formula | C16H26N4O4 |
|---|---|
| Molecular Weight | 338.20 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 338.1954 |
| Heavy Atoms | 24 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 105102-21-4 |
|---|---|
| SMILES | CCOCN1C=NC2=C1C(=O)N(C(=O)N2C)CCCCC(C)(C)O |
| InChIKey | QSXXLDDWVCEBFP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Torbafylline (CAS 105102-21-4), with molecular formula C16H26N4O4 and molecular weight 338.20 g/mol. IUPAC: 7-(ethoxymethyl)-1-(5-hydroxy-5-methylhexyl)-3-methylpurine-2,6-dione.
Chemical Property Profile of Torbafylline
Property Insights of Torbafylline
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Torbafylline. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Torbafylline. Following Lipinski's Rule of Five, Torbafylline has 1 hydrogen bond donor(s) and 5 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 Torbafylline?
The CAS number of Torbafylline is 105102-21-4.
What is the molecular formula of Torbafylline?
The molecular formula of Torbafylline is C16H26N4O4.
What is the molecular weight of Torbafylline?
The molecular weight of Torbafylline is 338.20 g/mol.
Where can I buy Torbafylline?
You can request a quote for Torbafylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Torbafylline?
Yes, KEHONG BIO provides custom synthesis services for Torbafylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.