12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol
TL;DR: 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol (CAS 27096-60-2) is a chemical compound with molecular formula C20H26N2O3 and molecular weight 342.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
17-(1-hydroxyethyl)-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4(9),5,7-tetraen-10-ol
Also Known As: Iboxygain-hydroxyindolenin, 12-methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol, Ibogamine-9,20(17H)-diol, 16,17-didehydro-12-methoxy-
| Molecular Formula | C20H26N2O3 |
|---|---|
| Molecular Weight | 342.19 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 65.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.19434 |
| Heavy Atoms | 25 |
| Complexity | 581.0 |
Chemical Identifiers
| CAS Number | 27096-60-2 |
|---|---|
| SMILES | CC(C1CC2CC3C1N(C2)CCC4(C3=NC5=C4C=C(C=C5)OC)O)O |
| InChIKey | DCLUPSCVJQXNCE-UHFFFAOYSA-N |
Product Overview
12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol (CAS 27096-60-2), with molecular formula C20H26N2O3 and molecular weight 342.19 g/mol. IUPAC: 17-(1-hydroxyethyl)-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2,4(9),5,7-tetraen-10-ol.
Chemical Property Profile of 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol
Property Insights of 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol. The TPSA of 65.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol. Following Lipinski's Rule of Five, 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol 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 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol?
The CAS number of 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol is 27096-60-2.
What is the molecular formula of 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol?
The molecular formula of 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol is C20H26N2O3.
What is the molecular weight of 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol?
The molecular weight of 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol is 342.19 g/mol.
Where can I buy 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol?
You can request a quote for 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol?
Yes, KEHONG BIO provides custom synthesis services for 12-Methoxy-16,17-didehydro-9,17-dihydroibogamine-9,20-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.