Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester
TL;DR: Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester (CAS 596-54-3) is a chemical compound with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,17S,18S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate
Also Known As: iso-voacangine, Isovoacangine, (-)-Isovoacangine, Isovoacangine, (-)-, Methyl 13-methoxyibogamine-18-carboxylate
| Molecular Formula | C22H28N2O3 |
|---|---|
| Molecular Weight | 368.21 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 368.21 |
| Heavy Atoms | 27 |
| Complexity | 598.0 |
Chemical Identifiers
| CAS Number | 596-54-3 |
|---|---|
| SMILES | CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=CC(=C5)OC)C(=O)OC |
| InChIKey | FPUHKQMDWMVBRI-PHKAQXKASA-N |
Product Overview
Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester (CAS 596-54-3), with molecular formula C22H28N2O3 and molecular weight 368.21 g/mol. IUPAC: methyl (1S,15R,17S,18S)-17-ethyl-6-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraene-1-carboxylate.
Chemical Property Profile of Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester
Property Insights of Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester
The XLogP value of 3.5 indicates that Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.6 Ų, Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester 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 Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester?
The CAS number of Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester is 596-54-3.
What is the molecular formula of Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester?
The molecular formula of Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester is C22H28N2O3.
What is the molecular weight of Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester?
The molecular weight of Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester is 368.21 g/mol.
Where can I buy Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester?
You can request a quote for Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ibogamine-18-carboxylic acid, 13-methoxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.