Arofylline
TL;DR: Arofylline (CAS 15831-52-4) is a chemical compound with molecular formula C14H13ClN4O2 and molecular weight 304.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione
Also Known As: Arofylline, Arofyllin, Arofilina, Arofylline (USAN/INN), AROFYLLINE [INN]
| Molecular Formula | C14H13ClN4O2 |
|---|---|
| Molecular Weight | 304.07 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 69.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 304.0727 |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
| Solubility | 44.9 [ug/mL] (The mean of the results at pH 7.4) |
Chemical Identifiers
| CAS Number | 15831-52-4 |
|---|---|
| SMILES | CCCN1C(=O)C2=C(N=CN2)N(C1=O)C3=CC=C(C=C3)Cl |
| InChIKey | GVTLDPJNRVMCAL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Arofylline (CAS 15831-52-4), with molecular formula C14H13ClN4O2 and molecular weight 304.07 g/mol. IUPAC: 3-(4-chlorophenyl)-1-propyl-7H-purine-2,6-dione.
Chemical Property Profile of Arofylline
Property Insights of Arofylline
The XLogP value of 3.2 indicates that Arofylline 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 Arofylline. Following Lipinski's Rule of Five, Arofylline 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 Arofylline?
The CAS number of Arofylline is 15831-52-4.
What is the molecular formula of Arofylline?
The molecular formula of Arofylline is C14H13ClN4O2.
What is the molecular weight of Arofylline?
The molecular weight of Arofylline is 304.07 g/mol.
Where can I buy Arofylline?
You can request a quote for Arofylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Arofylline?
Yes, KEHONG BIO provides custom synthesis services for Arofylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.