Fagaronine
TL;DR: Fagaronine (CAS 52259-65-1) is a chemical compound with molecular formula C21H20NO4+ and molecular weight 350.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-ol
Also Known As: Fagaronine, Fagaronine chloride, 3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-ol, NCI60_001154, 2-Hydroxy-3,8,9-trimethoxy-5-methylbenzo(c)phenanthridine
| Molecular Formula | C21H20NO4+ |
|---|---|
| Molecular Weight | 350.14 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 350.13922 |
| Heavy Atoms | 26 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 52259-65-1 |
|---|---|
| SMILES | C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)O)OC)OC)OC |
| InChIKey | OOKZVPUCASIEBL-UHFFFAOYSA-O |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fagaronine (CAS 52259-65-1), with molecular formula C21H20NO4+ and molecular weight 350.14 g/mol. IUPAC: 3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-ol.
Chemical Property Profile of Fagaronine
Property Insights of Fagaronine
The XLogP value of 4.4 indicates that Fagaronine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.8 Ų, Fagaronine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fagaronine has 1 hydrogen bond donor(s) and 4 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 Fagaronine?
The CAS number of Fagaronine is 52259-65-1.
What is the molecular formula of Fagaronine?
The molecular formula of Fagaronine is C21H20NO4+.
What is the molecular weight of Fagaronine?
The molecular weight of Fagaronine is 350.14 g/mol.
Where can I buy Fagaronine?
You can request a quote for Fagaronine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fagaronine?
Yes, KEHONG BIO provides custom synthesis services for Fagaronine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.