Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-
TL;DR: Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)- (CAS 85805-66-9) is a chemical compound with molecular formula C11H17N2+ and molecular weight 177.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium
Also Known As: N-Methylnicotine, N-Methylnicotinium, Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-, 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium, 1-Methyl-3-[(2S)-1-methyl-2-pyrrolidinyl]pyridinium
| Molecular Formula | C11H17N2+ |
|---|---|
| Molecular Weight | 177.14 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 7.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 177.13918 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 85805-66-9 |
|---|---|
| SMILES | CN1CCC[C@H]1C2=C[N+](=CC=C2)C |
| InChIKey | HIOROZIUERMMRQ-NSHDSACASA-N |
Product Overview
Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)- (CAS 85805-66-9), with molecular formula C11H17N2+ and molecular weight 177.14 g/mol. IUPAC: 1-methyl-3-[(2S)-1-methylpyrrolidin-2-yl]pyridin-1-ium.
Chemical Property Profile of Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-
Property Insights of Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-. With a topological polar surface area (TPSA) of 7.1 Ų, Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)- has 0 hydrogen bond donor(s) and 1 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 Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-?
The CAS number of Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)- is 85805-66-9.
What is the molecular formula of Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-?
The molecular formula of Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)- is C11H17N2+.
What is the molecular weight of Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-?
The molecular weight of Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)- is 177.14 g/mol.
Where can I buy Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-?
You can request a quote for Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Pyridinium, 1-methyl-3-((2S)-1-methyl-2-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.