Voacangine 13-(3,4-dimethoxybenzyl)
TL;DR: Voacangine 13-(3,4-dimethoxybenzyl) (CAS 72989-11-8) is a chemical compound with molecular formula C31H38N2O5 and molecular weight 518.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (15S,17R)-6-[(3,4-dimethoxyphenyl)methyl]-17-ethyl-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: VOACANGINE 13-(3,4-DIMETHOXYBENZYL), Methyl (5xi,18xi)-13-[(3,4-dimethoxyphenyl)methyl]-12-methoxy-2alpha,4alpha,6xi-ibogamine-18-carboxylate
| Molecular Formula | C31H38N2O5 |
|---|---|
| Molecular Weight | 518.28 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 | 518.2781 |
| Heavy Atoms | 38 |
| Complexity | 856.0 |
Chemical Identifiers
| CAS Number | 72989-11-8 |
|---|---|
| SMILES | CC[C@@H]1C[C@H]2CC3(C1N(C2)CCC4=C3NC5=C4C=C(C(=C5)CC6=CC(=C(C=C6)OC)OC)OC)C(=O)OC |
| InChIKey | PGUICKQMIHGVFS-OLMQRSAJSA-N |
Product Overview
Voacangine 13-(3,4-dimethoxybenzyl) (CAS 72989-11-8), with molecular formula C31H38N2O5 and molecular weight 518.28 g/mol. IUPAC: methyl (15S,17R)-6-[(3,4-dimethoxyphenyl)methyl]-17-ethyl-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 Voacangine 13-(3,4-dimethoxybenzyl)
Property Insights of Voacangine 13-(3,4-dimethoxybenzyl)
The XLogP value of 5.4 indicates that Voacangine 13-(3,4-dimethoxybenzyl) 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 Voacangine 13-(3,4-dimethoxybenzyl). Following Lipinski's Rule of Five, Voacangine 13-(3,4-dimethoxybenzyl) 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 Voacangine 13-(3,4-dimethoxybenzyl)?
The CAS number of Voacangine 13-(3,4-dimethoxybenzyl) is 72989-11-8.
What is the molecular formula of Voacangine 13-(3,4-dimethoxybenzyl)?
The molecular formula of Voacangine 13-(3,4-dimethoxybenzyl) is C31H38N2O5.
What is the molecular weight of Voacangine 13-(3,4-dimethoxybenzyl)?
The molecular weight of Voacangine 13-(3,4-dimethoxybenzyl) is 518.28 g/mol.
Where can I buy Voacangine 13-(3,4-dimethoxybenzyl)?
You can request a quote for Voacangine 13-(3,4-dimethoxybenzyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Voacangine 13-(3,4-dimethoxybenzyl)?
Yes, KEHONG BIO provides custom synthesis services for Voacangine 13-(3,4-dimethoxybenzyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.