伊波加林
TL;DR: 伊波加林 (CAS 5443-38-9) is a chemical compound with molecular formula C21H28N2O2 and molecular weight 340.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
伊波加林
(1R,15R,17S,18S)-17-ethyl-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene
Also Known As: Ibogaline, 12,13-Dimethoxyibogamine, Methoxyibogaine, 13-METHOXYIBOGAINE, Ibogamine, 12,13-dimethoxy-
| Molecular Formula | C21H28N2O2 |
|---|---|
| Molecular Weight | 340.22 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 37.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.2151 |
| Heavy Atoms | 25 |
| Complexity | 500.0 |
Chemical Identifiers
| CAS Number | 5443-38-9 |
|---|---|
| SMILES | CC[C@H]1C[C@@H]2C[C@@H]3[C@H]1N(C2)CCC4=C3NC5=CC(=C(C=C45)OC)OC |
| InChIKey | VLOWUTVRYMTRJO-HHNICDRHSA-N |
Product Overview
伊波加林 (CAS 5443-38-9), with molecular formula C21H28N2O2 and molecular weight 340.22 g/mol. IUPAC: (1R,15R,17S,18S)-17-ethyl-6,7-dimethoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene.
Chemical Property Profile of 伊波加林
Property Insights of 伊波加林
The XLogP value of 3.9 indicates that 伊波加林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 37.5 Ų, 伊波加林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 伊波加林 has 1 hydrogen bond donor(s) and 3 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 伊波加林?
The CAS number of 伊波加林 is 5443-38-9.
What is the molecular formula of 伊波加林?
The molecular formula of 伊波加林 is C21H28N2O2.
What is the molecular weight of 伊波加林?
The molecular weight of 伊波加林 is 340.22 g/mol.
Where can I buy 伊波加林?
You can request a quote for 伊波加林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 伊波加林?
Yes, KEHONG BIO provides custom synthesis services for 伊波加林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.