Fagaronine Chloride
TL;DR: Fagaronine Chloride (CAS 52259-64-0) is a chemical compound with molecular formula C21H20ClNO4 and molecular weight 385.11 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 chloride
Also Known As: Fagaronine chloride, Fagaronine, Fagaronine (chloride), 52259-64-0 (chloride), 2-Hydroxy-3,8,9-trimethoxy-5-methylbenzo(c)phenanthridinium chloride
| Molecular Formula | C21H20ClNO4 |
|---|---|
| Molecular Weight | 385.11 g/mol |
| LogP | 0.71 |
| Topological Polar Surface Area | 51.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 385.1081 |
| Heavy Atoms | 27 |
| Complexity | 489.0 |
Chemical Identifiers
| CAS Number | 52259-64-0 |
|---|---|
| SMILES | C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)O)OC)OC)OC.[Cl-] |
| InChIKey | VVEPUJCLNRDIEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Fagaronine Chloride (CAS 52259-64-0), with molecular formula C21H20ClNO4 and molecular weight 385.11 g/mol. IUPAC: 3,8,9-trimethoxy-5-methylbenzo[c]phenanthridin-5-ium-2-ol chloride.
Chemical Property Profile of Fagaronine Chloride
Property Insights of Fagaronine Chloride
The XLogP value of 0.71 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Fagaronine Chloride. With a topological polar surface area (TPSA) of 51.8 Ų, Fagaronine Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Fagaronine Chloride has 1 hydrogen bond donor(s) and 5 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 Chloride?
The CAS number of Fagaronine Chloride is 52259-64-0.
What is the molecular formula of Fagaronine Chloride?
The molecular formula of Fagaronine Chloride is C21H20ClNO4.
What is the molecular weight of Fagaronine Chloride?
The molecular weight of Fagaronine Chloride is 385.11 g/mol.
Where can I buy Fagaronine Chloride?
You can request a quote for Fagaronine Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Fagaronine Chloride?
Yes, KEHONG BIO provides custom synthesis services for Fagaronine Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.