Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)-
TL;DR: Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)- (CAS 79235-41-9) is a chemical compound with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,15R,17R,18S)-6-hydroxy-17-[(1S)-1-hydroxyethyl]-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: Methyl 13,20-dihydroxyibogamine-18-carboxylate, Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)-, Methyl (6xi,20S)-13,20-dihydroxy-4alpha,5beta-ibogamine-18-carboxylate
| Molecular Formula | C21H26N2O4 |
|---|---|
| Molecular Weight | 370.19 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 85.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 370.18927 |
| Heavy Atoms | 27 |
| Complexity | 615.0 |
Chemical Identifiers
| CAS Number | 79235-41-9 |
|---|---|
| SMILES | C[C@@H]([C@@H]1C[C@@H]2C[C@@]3([C@H]1N(C2)CCC4=C3NC5=C4C=CC(=C5)O)C(=O)OC)O |
| InChIKey | SURLCFQHMLXWMC-PKNMCCMWSA-N |
Product Overview
Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)- (CAS 79235-41-9), with molecular formula C21H26N2O4 and molecular weight 370.19 g/mol. IUPAC: methyl (1S,15R,17R,18S)-6-hydroxy-17-[(1S)-1-hydroxyethyl]-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, 13,20-dihydroxy-, methyl ester, (4alpha,20S)-
Property Insights of Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)-
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)-. The TPSA of 85.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)-. Following Lipinski's Rule of Five, Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)- has 3 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, 13,20-dihydroxy-, methyl ester, (4alpha,20S)-?
The CAS number of Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)- is 79235-41-9.
What is the molecular formula of Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)-?
The molecular formula of Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)- is C21H26N2O4.
What is the molecular weight of Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)-?
The molecular weight of Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)- is 370.19 g/mol.
Where can I buy Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)-?
You can request a quote for Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)- 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, 13,20-dihydroxy-, methyl ester, (4alpha,20S)-?
Yes, KEHONG BIO provides custom synthesis services for Ibogamine-18-carboxylic acid, 13,20-dihydroxy-, methyl ester, (4alpha,20S)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.