N-Methylibogaine
TL;DR: N-Methylibogaine (CAS 3885-19-6) is a chemical compound with molecular formula C21H28N2O and molecular weight 324.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(15S,17R)-17-ethyl-7-methoxy-3-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
Also Known As: N-Methylibogaine, 10-Methylibogaine, 12-Methoxy-16-methylibogamine, (5xi,6xi)-12-Methoxy-16-methyl-2alpha,4alpha,18xi-ibogamine, (15S,17R)-17-ethyl-7-methoxy-3-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene
| Molecular Formula | C21H28N2O |
|---|---|
| Molecular Weight | 324.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 17.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 324.22015 |
| Heavy Atoms | 24 |
| Complexity | 482.0 |
Chemical Identifiers
| CAS Number | 3885-19-6 |
|---|---|
| SMILES | CC[C@@H]1C[C@H]2CC3C1N(C2)CCC4=C3N(C5=C4C=C(C=C5)OC)C |
| InChIKey | GZIPIZQXYGKJCX-RSSDRTCTSA-N |
Product Overview
N-Methylibogaine (CAS 3885-19-6), with molecular formula C21H28N2O and molecular weight 324.22 g/mol. IUPAC: (15S,17R)-17-ethyl-7-methoxy-3-methyl-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene.
Chemical Property Profile of N-Methylibogaine
Property Insights of N-Methylibogaine
The XLogP value of 3.9 indicates that N-Methylibogaine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.4 Ų, N-Methylibogaine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylibogaine has 0 hydrogen bond donor(s) and 2 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 N-Methylibogaine?
The CAS number of N-Methylibogaine is 3885-19-6.
What is the molecular formula of N-Methylibogaine?
The molecular formula of N-Methylibogaine is C21H28N2O.
What is the molecular weight of N-Methylibogaine?
The molecular weight of N-Methylibogaine is 324.22 g/mol.
Where can I buy N-Methylibogaine?
You can request a quote for N-Methylibogaine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylibogaine?
Yes, KEHONG BIO provides custom synthesis services for N-Methylibogaine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.