4'-Methylnicotine
TL;DR: 4'-Methylnicotine (CAS 74805-00-8) is a chemical compound with molecular formula C11H16N2 and molecular weight 176.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(1,4-dimethylpyrrolidin-2-yl)pyridine
Also Known As: 4'-Methylnicotine, 3-(1,4-dimethylpyrrolidin-2-yl)pyridine, Pyridine,3-(1,4-dimethyl-2-pyrrolidinyl)-, Pyridine, 3-(1,4-dimethyl-2-pyrrolidinyl)-, RefChem:96044
| Molecular Formula | C11H16N2 |
|---|---|
| Molecular Weight | 176.13 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 16.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 176.13135 |
| Heavy Atoms | 13 |
| Complexity | 169.0 |
Chemical Identifiers
| CAS Number | 74805-00-8 |
|---|---|
| SMILES | CC1CC(N(C1)C)C2=CN=CC=C2 |
| InChIKey | FFVWMSOTNFVMFW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4'-Methylnicotine (CAS 74805-00-8), with molecular formula C11H16N2 and molecular weight 176.13 g/mol. IUPAC: 3-(1,4-dimethylpyrrolidin-2-yl)pyridine.
Chemical Property Profile of 4'-Methylnicotine
Property Insights of 4'-Methylnicotine
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4'-Methylnicotine. With a topological polar surface area (TPSA) of 16.1 Ų, 4'-Methylnicotine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-Methylnicotine 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 4'-Methylnicotine?
The CAS number of 4'-Methylnicotine is 74805-00-8.
What is the molecular formula of 4'-Methylnicotine?
The molecular formula of 4'-Methylnicotine is C11H16N2.
What is the molecular weight of 4'-Methylnicotine?
The molecular weight of 4'-Methylnicotine is 176.13 g/mol.
Where can I buy 4'-Methylnicotine?
You can request a quote for 4'-Methylnicotine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-Methylnicotine?
Yes, KEHONG BIO provides custom synthesis services for 4'-Methylnicotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.