Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester
TL;DR: Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester (CAS 76202-23-8) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 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-hydroxy-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: 11-hydroxycoronaridine, methyl 13-hydroxyibogamine-18-carboxylate, J1.899.979J, Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester, Methyl (6xi)-13-hydroxyibogamine-18-carboxylate
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 65.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 584.0 |
Chemical Identifiers
| CAS Number | 76202-23-8 |
|---|---|
| SMILES | CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=CC(=C5)O)C(=O)OC |
| InChIKey | GFEUNVMURRUASI-YDBSYXHISA-N |
Product Overview
Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester (CAS 76202-23-8), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: methyl (1S,15R,17S,18S)-17-ethyl-6-hydroxy-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-hydroxy-, methyl ester
Property Insights of Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester
The XLogP value of 3.2 indicates that Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.6 Ų falls within the moderate polarity range, balancing permeability and solubility for Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester. Following Lipinski's Rule of Five, Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester has 2 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-hydroxy-, methyl ester?
The CAS number of Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester is 76202-23-8.
What is the molecular formula of Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester?
The molecular formula of Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester is C21H26N2O3.
What is the molecular weight of Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester?
The molecular weight of Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester is 354.19 g/mol.
Where can I buy Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester?
You can request a quote for Ibogamine-18-carboxylic acid, 13-hydroxy-, 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-hydroxy-, methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Ibogamine-18-carboxylic acid, 13-hydroxy-, methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.