Voacorine
TL;DR: Voacorine (CAS 5130-80-3) is a chemical compound with molecular formula C43H52N4O6 and molecular weight 720.39 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6-(15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl)-17-(1-hydroxyethyl)-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
Also Known As: Voacorine, 20-hydroxy-12-methoxy-13-(16-methoxycarbonyl-17-nor-vobasan-, Ibogamine-18-carboxylic acid, 20-hydroxy-12-methoxy-13-[(3I+/-)-17-methoxy-17-oxovobasan-3-yl]-, methyl ester, (20R)-, Methyl 6-(15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl)-17-(1-hydroxyethyl)-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate
| Molecular Formula | C43H52N4O6 |
|---|---|
| Molecular Weight | 720.39 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 720.3887 |
| Heavy Atoms | 53 |
| Complexity | 1440.0 |
Chemical Identifiers
| CAS Number | 5130-80-3 |
|---|---|
| SMILES | CC=C1CN(C2CC3=C(C(CC1C2C(=O)OC)C4=C(C=C5C6=C(C7(CC8CC(C7N(C8)CC6)C(C)O)C(=O)OC)NC5=C4)OC)NC9=CC=CC=C39)C |
| InChIKey | UIEKMUULTFWIHX-UHFFFAOYSA-N |
Product Overview
Voacorine (CAS 5130-80-3), with molecular formula C43H52N4O6 and molecular weight 720.39 g/mol. IUPAC: methyl 6-(15-ethylidene-18-methoxycarbonyl-17-methyl-10,17-diazatetracyclo[12.3.1.03,11.04,9]octadeca-3(11),4,6,8-tetraen-12-yl)-17-(1-hydroxyethyl)-7-methoxy-3,13-diazapentacyclo[13.3.1.02,10.04,9.013,18]nonadeca-2(10),4,6,8-tetraene-1-carboxylate.
Chemical Property Profile of Voacorine
Property Insights of Voacorine
The XLogP value of 4.9 indicates that Voacorine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Voacorine. Following Lipinski's Rule of Five, Voacorine has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Voacorine?
The CAS number of Voacorine is 5130-80-3.
What is the molecular formula of Voacorine?
The molecular formula of Voacorine is C43H52N4O6.
What is the molecular weight of Voacorine?
The molecular weight of Voacorine is 720.39 g/mol.
Where can I buy Voacorine?
You can request a quote for Voacorine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Voacorine?
Yes, KEHONG BIO provides custom synthesis services for Voacorine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.