Laprafylline
TL;DR: Laprafylline (CAS 90749-32-9) is a chemical compound with molecular formula C29H36N6O2 and molecular weight 500.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Also Known As: Laprafylline, Laprafilina, Laprafyllinum, Laprafylline [INN], Laprafilina [INN-Spanish]
| Molecular Formula | C29H36N6O2 |
|---|---|
| Molecular Weight | 500.29 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 500.28998 |
| Heavy Atoms | 37 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 90749-32-9 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCN3CCN(CC3)C(C4=CC=CC=C4)C5=CC=CC=C5 |
| InChIKey | OEHQNUNEMMXGRU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Laprafylline (CAS 90749-32-9), with molecular formula C29H36N6O2 and molecular weight 500.29 g/mol. IUPAC: 8-[2-(4-benzhydrylpiperazin-1-yl)ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione.
Chemical Property Profile of Laprafylline
Property Insights of Laprafylline
The XLogP value of 4.3 indicates that Laprafylline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Laprafylline. Following Lipinski's Rule of Five, Laprafylline has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Laprafylline?
The CAS number of Laprafylline is 90749-32-9.
What is the molecular formula of Laprafylline?
The molecular formula of Laprafylline is C29H36N6O2.
What is the molecular weight of Laprafylline?
The molecular weight of Laprafylline is 500.29 g/mol.
Where can I buy Laprafylline?
You can request a quote for Laprafylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Laprafylline?
Yes, KEHONG BIO provides custom synthesis services for Laprafylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.