Acepifylline
TL;DR: Acepifylline (CAS 5690-66-4) is a chemical compound with molecular formula C13H20N6O4 and molecular weight 324.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;piperazine
Also Known As: Acepifylline, Aethaphyllinium, Acefylline, Dynaphylline, Etafillina
| Molecular Formula | C13H20N6O4 |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | -2.3025 |
| Topological Polar Surface Area | 123.18 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.1546 |
| Heavy Atoms | 23 |
| Complexity | 802.6949 |
Chemical Identifiers
| CAS Number | 5690-66-4 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)O.C1CNCCN1 |
Product Overview
Acepifylline (CAS 5690-66-4), with molecular formula C13H20N6O4 and molecular weight 324.15 g/mol. IUPAC: 2-(1,3-dimethyl-2,6-dioxopurin-7-yl)acetic acid;piperazine.
Chemical Property Profile of Acepifylline
Property Insights of Acepifylline
The XLogP value of -2.3025 indicates that Acepifylline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 123.18 Ų falls within the moderate polarity range, balancing permeability and solubility for Acepifylline. Following Lipinski's Rule of Five, Acepifylline has 3 hydrogen bond donor(s) and 6 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 Acepifylline?
The CAS number of Acepifylline is 5690-66-4.
What is the molecular formula of Acepifylline?
The molecular formula of Acepifylline is C13H20N6O4.
What is the molecular weight of Acepifylline?
The molecular weight of Acepifylline is 324.15 g/mol.
Where can I buy Acepifylline?
You can request a quote for Acepifylline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acepifylline?
Yes, KEHONG BIO provides custom synthesis services for Acepifylline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.