Methyl 12-methoxy-19-oxoibogamine-18-carboxylate
TL;DR: Methyl 12-methoxy-19-oxoibogamine-18-carboxylate (CAS 3306-59-0) is a chemical compound with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 17-ethyl-7-methoxy-14-oxo-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: ACon1_001360, Methyl 12-methoxy-19-oxoibogamine-18-carboxylate, Ibogamine-18-carboxylic acid, 12-methoxy-19-oxo-, methyl ester, BRD-A03106275-001-01-5
| Molecular Formula | C22H26N2O4 |
|---|---|
| Molecular Weight | 382.19 g/mol |
| LogP | 2.7904 |
| Topological Polar Surface Area | 71.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 382.18927 |
| Heavy Atoms | 28 |
| Complexity | 980.3172 |
Chemical Identifiers
| CAS Number | 3306-59-0 |
|---|---|
| SMILES | CCC1CC2CC3(C1N(C2=O)CCC4=C3NC5=C4C=C(C=C5)OC)C(=O)OC |
Product Overview
Methyl 12-methoxy-19-oxoibogamine-18-carboxylate (CAS 3306-59-0), with molecular formula C22H26N2O4 and molecular weight 382.19 g/mol. IUPAC: methyl 17-ethyl-7-methoxy-14-oxo-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 Methyl 12-methoxy-19-oxoibogamine-18-carboxylate
Property Insights of Methyl 12-methoxy-19-oxoibogamine-18-carboxylate
The XLogP value of 2.7904 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 12-methoxy-19-oxoibogamine-18-carboxylate. The TPSA of 71.63 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 12-methoxy-19-oxoibogamine-18-carboxylate. Following Lipinski's Rule of Five, Methyl 12-methoxy-19-oxoibogamine-18-carboxylate 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 Methyl 12-methoxy-19-oxoibogamine-18-carboxylate?
The CAS number of Methyl 12-methoxy-19-oxoibogamine-18-carboxylate is 3306-59-0.
What is the molecular formula of Methyl 12-methoxy-19-oxoibogamine-18-carboxylate?
The molecular formula of Methyl 12-methoxy-19-oxoibogamine-18-carboxylate is C22H26N2O4.
What is the molecular weight of Methyl 12-methoxy-19-oxoibogamine-18-carboxylate?
The molecular weight of Methyl 12-methoxy-19-oxoibogamine-18-carboxylate is 382.19 g/mol.
Where can I buy Methyl 12-methoxy-19-oxoibogamine-18-carboxylate?
You can request a quote for Methyl 12-methoxy-19-oxoibogamine-18-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 12-methoxy-19-oxoibogamine-18-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 12-methoxy-19-oxoibogamine-18-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.