N-Methylstrychnine
TL;DR: N-Methylstrychnine (CAS 47466-17-1) is a chemical compound with molecular formula C22H25N2O2+ and molecular weight 349.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4aR,5aS,13aS,15aS,15bR)-6-methyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one
Also Known As: N-Methylstrychnine, Strychnidinium, 19-methyl-10-oxo-, (4aR,5aS,13aS,15aS,15bR)-6-methyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one, (4aR,5aS,8aS,13aS,15aS,15bR)-6-methyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinoline-6-ium-14-one, RefChem:163903
| Molecular Formula | C22H25N2O2+ |
|---|---|
| Molecular Weight | 349.19 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 349.1916 |
| Heavy Atoms | 26 |
| Complexity | 734.0 |
Chemical Identifiers
| CAS Number | 47466-17-1 |
|---|---|
| SMILES | C[N+]12CCC34[C@@H]1C[C@@H]5[C@@H]6[C@@H]3N(C(=O)C[C@@H]6OCC=C5C2)C7=CC=CC=C47 |
| InChIKey | CTCZKABHVPGYMK-CTEVNEASSA-N |
Product Overview
N-Methylstrychnine (CAS 47466-17-1), with molecular formula C22H25N2O2+ and molecular weight 349.19 g/mol. IUPAC: (4aR,5aS,13aS,15aS,15bR)-6-methyl-4a,5,5a,7,8,13a,15,15a,15b,16-decahydro-2H-4,6-methanoindolo[3,2,1-ij]oxepino[2,3,4-de]pyrrolo[2,3-h]quinolin-6-ium-14-one.
Chemical Property Profile of N-Methylstrychnine
Property Insights of N-Methylstrychnine
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-Methylstrychnine. With a topological polar surface area (TPSA) of 29.5 Ų, N-Methylstrychnine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Methylstrychnine has 0 hydrogen bond donor(s) and 2 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 N-Methylstrychnine?
The CAS number of N-Methylstrychnine is 47466-17-1.
What is the molecular formula of N-Methylstrychnine?
The molecular formula of N-Methylstrychnine is C22H25N2O2+.
What is the molecular weight of N-Methylstrychnine?
The molecular weight of N-Methylstrychnine is 349.19 g/mol.
Where can I buy N-Methylstrychnine?
You can request a quote for N-Methylstrychnine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Methylstrychnine?
Yes, KEHONG BIO provides custom synthesis services for N-Methylstrychnine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.