Methindethyrium ion
TL;DR: Methindethyrium ion (CAS 793603-48-2) is a chemical compound with molecular formula C22H31N3+2 and molecular weight 337.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium
Also Known As: Methindethyrium ion, Methindethyrium cation, Pyridinium, 4-(2-(1-methyl-1H-indol-3-yl)ethyl)-1-(3-(trimethylammonio)propyl)-, trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium
| Molecular Formula | C22H31N3+2 |
|---|---|
| Molecular Weight | 337.25 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 8.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 7 |
| Exact Mass | 337.2518 |
| Heavy Atoms | 25 |
| Complexity | 395.0 |
Chemical Identifiers
| CAS Number | 793603-48-2 |
|---|---|
| SMILES | CN1C=C(C2=CC=CC=C21)CCC3=CC=[N+](C=C3)CCC[N+](C)(C)C |
| InChIKey | ADCSYVXJAPHBFY-UHFFFAOYSA-N |
Product Overview
Methindethyrium ion (CAS 793603-48-2), with molecular formula C22H31N3+2 and molecular weight 337.25 g/mol. IUPAC: trimethyl-[3-[4-[2-(1-methylindol-3-yl)ethyl]pyridin-1-ium-1-yl]propyl]azanium.
Chemical Property Profile of Methindethyrium ion
Property Insights of Methindethyrium ion
The XLogP value of 3.6 indicates that Methindethyrium ion is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 8.8 Ų, Methindethyrium ion exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methindethyrium ion has 0 hydrogen bond donor(s) and 0 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 Methindethyrium ion?
The CAS number of Methindethyrium ion is 793603-48-2.
What is the molecular formula of Methindethyrium ion?
The molecular formula of Methindethyrium ion is C22H31N3+2.
What is the molecular weight of Methindethyrium ion?
The molecular weight of Methindethyrium ion is 337.25 g/mol.
Where can I buy Methindethyrium ion?
You can request a quote for Methindethyrium ion directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methindethyrium ion?
Yes, KEHONG BIO provides custom synthesis services for Methindethyrium ion and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.