Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-
TL;DR: Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)- (CAS 80981-96-0) is a chemical compound with molecular formula C22H28N2O4 and molecular weight 384.20 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-14-hydroxy-7-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: Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-, Methyl 19-hydroxy-12-methoxyibogamine-18-carboxylate, Methyl (6xi)-19-hydroxy-12-methoxy-5beta-ibogamine-18-carboxylate
| Molecular Formula | C22H28N2O4 |
|---|---|
| Molecular Weight | 384.20 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 74.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 384.2049 |
| Heavy Atoms | 28 |
| Complexity | 630.0 |
Chemical Identifiers
| CAS Number | 80981-96-0 |
|---|---|
| SMILES | CC[C@H]1C[C@@H]2C[C@@]3([C@H]1N(C2O)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC |
| InChIKey | KKXUQVVFJINTEP-KAVGIQKJSA-N |
Product Overview
Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)- (CAS 80981-96-0), with molecular formula C22H28N2O4 and molecular weight 384.20 g/mol. IUPAC: methyl (1S,15R,17S,18S)-17-ethyl-14-hydroxy-7-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, 19-hydroxy-12-methoxy-, methyl ester, (19R)-
Property Insights of Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-
The XLogP value of 3.0 indicates that Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 74.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-. Following Lipinski's Rule of Five, Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)- has 2 hydrogen bond donor(s) and 5 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, 19-hydroxy-12-methoxy-, methyl ester, (19R)-?
The CAS number of Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)- is 80981-96-0.
What is the molecular formula of Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-?
The molecular formula of Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)- is C22H28N2O4.
What is the molecular weight of Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-?
The molecular weight of Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)- is 384.20 g/mol.
Where can I buy Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)-?
You can request a quote for Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)- 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, 19-hydroxy-12-methoxy-, methyl ester, (19R)-?
Yes, KEHONG BIO provides custom synthesis services for Ibogamine-18-carboxylic acid, 19-hydroxy-12-methoxy-, methyl ester, (19R)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.