Isostrychnopentamine
TL;DR: Isostrychnopentamine (CAS 78433-52-0) is a chemical compound with molecular formula C35H43N5O and molecular weight 549.35 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,12bS)-3-ethenyl-11-(1-methylpyrrolidin-2-yl)-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol
Also Known As: Isostrychnopentamine, (2S,3R,12bS)-3-ethenyl-11-(1-methylpyrrolidin-2-yl)-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol, (2s,3r,12bs)-3-ethenyl-11-(1-methylpyrrolidin-2-yl)-2-{[(1s)-2-methyl-2,3,4,9-tetrahydro-1h-, A-carbolin-1-yl]methyl}-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol, (2S,3R,12bS)-3-ethenyl-11-(1-methylpyrrolidin-2-yl)-2-(((1S)-2-methyl-1,3,4,9-tetrahydropyrido(3,4-b)indol-1-yl)methyl)-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizin-10-ol
| Molecular Formula | C35H43N5O |
|---|---|
| Molecular Weight | 549.35 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 61.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 549.34674 |
| Heavy Atoms | 41 |
| Complexity | 961.0 |
Chemical Identifiers
| CAS Number | 78433-52-0 |
|---|---|
| SMILES | CN1CCC2=C([C@@H]1C[C@H]3C[C@H]4C5=C(CCN4C[C@@H]3C=C)C6=C(N5)C(=C(C=C6)O)C7CCCN7C)NC8=CC=CC=C28 |
| InChIKey | PHLJPJICTIGOKC-ZTJUTDRQSA-N |
Product Overview
Isostrychnopentamine (CAS 78433-52-0), with molecular formula C35H43N5O and molecular weight 549.35 g/mol. IUPAC: (2S,3R,12bS)-3-ethenyl-11-(1-methylpyrrolidin-2-yl)-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizin-10-ol.
Chemical Property Profile of Isostrychnopentamine
Property Insights of Isostrychnopentamine
The XLogP value of 5.4 indicates that Isostrychnopentamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Isostrychnopentamine. Following Lipinski's Rule of Five, Isostrychnopentamine has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isostrychnopentamine?
The CAS number of Isostrychnopentamine is 78433-52-0.
What is the molecular formula of Isostrychnopentamine?
The molecular formula of Isostrychnopentamine is C35H43N5O.
What is the molecular weight of Isostrychnopentamine?
The molecular weight of Isostrychnopentamine is 549.35 g/mol.
Where can I buy Isostrychnopentamine?
You can request a quote for Isostrychnopentamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isostrychnopentamine?
Yes, KEHONG BIO provides custom synthesis services for Isostrychnopentamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.