Verofylline
TL;DR: Verofylline (CAS 66172-75-6) is a chemical compound with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione
Also Known As: VEROFYLLINE, Verofilina, Verofyllinum, Verofylline [USAN:INN], Verofilina [INN-Spanish]
| Molecular Formula | C12H18N4O2 |
|---|---|
| Molecular Weight | 250.14 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 250.14297 |
| Heavy Atoms | 18 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 66172-75-6 |
|---|---|
| SMILES | CCC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)C |
| InChIKey | MTBUJUHRXVGLEF-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Verofylline (CAS 66172-75-6), with molecular formula C12H18N4O2 and molecular weight 250.14 g/mol. IUPAC: 1,8-dimethyl-3-(2-methylbutyl)-7H-purine-2,6-dione.
Chemical Property Profile of Verofylline
Property Insights of Verofylline
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Verofylline. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Verofylline. Following Lipinski's Rule of Five, Verofylline has 1 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 Verofylline?
The CAS number of Verofylline is 66172-75-6.
What is the molecular formula of Verofylline?
The molecular formula of Verofylline is C12H18N4O2.
What is the molecular weight of Verofylline?
The molecular weight of Verofylline is 250.14 g/mol.
Where can I buy Verofylline?
You can request a quote for Verofylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Verofylline?
Yes, KEHONG BIO provides custom synthesis services for Verofylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.