Rolofylline
TL;DR: Rolofylline (CAS 136199-02-5) is a chemical compound with molecular formula C20H28N4O2 and molecular weight 356.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dipropyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione
Also Known As: Rolofylline, Rolofyline, Rolofyllina, Rolofylline (USAN), 1,3-Dnax
| Molecular Formula | C20H28N4O2 |
|---|---|
| Molecular Weight | 356.22 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 356.22122 |
| Heavy Atoms | 26 |
| Complexity | 609.0 |
Chemical Identifiers
| CAS Number | 136199-02-5 |
|---|---|
| SMILES | CCCN1C2=C(C(=O)N(C1=O)CCC)NC(=N2)C34CC5CC(C3)CC4C5 |
| InChIKey | PJBFVWGQFLYWCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Rolofylline (CAS 136199-02-5), with molecular formula C20H28N4O2 and molecular weight 356.22 g/mol. IUPAC: 1,3-dipropyl-8-(3-tricyclo[3.3.1.03,7]nonanyl)-7H-purine-2,6-dione.
Chemical Property Profile of Rolofylline
Property Insights of Rolofylline
The XLogP value of 4.9 indicates that Rolofylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.3 Ų falls within the moderate polarity range, balancing permeability and solubility for Rolofylline. Following Lipinski's Rule of Five, Rolofylline 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 Rolofylline?
The CAS number of Rolofylline is 136199-02-5.
What is the molecular formula of Rolofylline?
The molecular formula of Rolofylline is C20H28N4O2.
What is the molecular weight of Rolofylline?
The molecular weight of Rolofylline is 356.22 g/mol.
Where can I buy Rolofylline?
You can request a quote for Rolofylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Rolofylline?
Yes, KEHONG BIO provides custom synthesis services for Rolofylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.