(12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate
TL;DR: (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate (CAS 73709-51-0) is a chemical compound with molecular formula C30H36N2O5 and molecular weight 504.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-1-yl)methyl 3,4-dimethoxybenzoate
Also Known As: Voacanginyl-3,4-dimethoxybenzoate, (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate, KST-1A7973, VOACANGINYL 3,4-DIMETHOXYBENZOATE, [ethyl(methoxy)[?]yl]methyl 3,4-dimethoxybenzoate
| Molecular Formula | C30H36N2O5 |
|---|---|
| Molecular Weight | 504.26 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 73.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.26242 |
| Heavy Atoms | 37 |
| Complexity | 826.0 |
Chemical Identifiers
| CAS Number | 73709-51-0 |
|---|---|
| SMILES | CCC1CC2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C=C5)OC)COC(=O)C6=CC(=C(C=C6)OC)OC |
| InChIKey | VWFYUUBLQUOKET-UHFFFAOYSA-N |
Product Overview
(12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate (CAS 73709-51-0), with molecular formula C30H36N2O5 and molecular weight 504.26 g/mol. IUPAC: (17-ethyl-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4(9),5,7-tetraen-1-yl)methyl 3,4-dimethoxybenzoate.
Chemical Property Profile of (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate
Property Insights of (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate
The XLogP value of 5.4 indicates that (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate. Following Lipinski's Rule of Five, (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate?
The CAS number of (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate is 73709-51-0.
What is the molecular formula of (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate?
The molecular formula of (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate is C30H36N2O5.
What is the molecular weight of (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate?
The molecular weight of (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate is 504.26 g/mol.
Where can I buy (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate?
You can request a quote for (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for (12-Methoxyibogamin-18-yl)methyl 3,4-dimethoxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.