O-Methylfagaronine
TL;DR: O-Methylfagaronine (CAS 54785-54-5) is a chemical compound with molecular formula C22H22NO4+ and molecular weight 364.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium
Also Known As: O-Methylfagaronine, 2-Methoxyfagaronine, O-methyl-fagaronine, NCI60_001331, NCI60_001504
| Molecular Formula | C22H22NO4+ |
|---|---|
| Molecular Weight | 364.15 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 40.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 364.15488 |
| Heavy Atoms | 27 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 54785-54-5 |
|---|---|
| SMILES | C[N+]1=CC2=CC(=C(C=C2C3=C1C4=CC(=C(C=C4C=C3)OC)OC)OC)OC |
| InChIKey | XBPUQLWKZKQIEP-UHFFFAOYSA-N |
Product Overview
O-Methylfagaronine (CAS 54785-54-5), with molecular formula C22H22NO4+ and molecular weight 364.15 g/mol. IUPAC: 2,3,8,9-tetramethoxy-5-methylbenzo[c]phenanthridin-5-ium.
Chemical Property Profile of O-Methylfagaronine
Property Insights of O-Methylfagaronine
The XLogP value of 4.7 indicates that O-Methylfagaronine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.8 Ų, O-Methylfagaronine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, O-Methylfagaronine has 0 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 O-Methylfagaronine?
The CAS number of O-Methylfagaronine is 54785-54-5.
What is the molecular formula of O-Methylfagaronine?
The molecular formula of O-Methylfagaronine is C22H22NO4+.
What is the molecular weight of O-Methylfagaronine?
The molecular weight of O-Methylfagaronine is 364.15 g/mol.
Where can I buy O-Methylfagaronine?
You can request a quote for O-Methylfagaronine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for O-Methylfagaronine?
Yes, KEHONG BIO provides custom synthesis services for O-Methylfagaronine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.