N-Octanoylnornicotine
TL;DR: N-Octanoylnornicotine (CAS 50422-39-4) is a chemical compound with molecular formula C17H26N2O and molecular weight 274.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one
Also Known As: N-Octanoylnornicotine, N-8nornic, N-octanoyl-nornicotine, N-n-Octanoylnornicotine, Pyrrolidine, 1-(1-oxooctyl)-2-(3-pyridinyl)-, (S)-
| Molecular Formula | C17H26N2O |
|---|---|
| Molecular Weight | 274.20 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 33.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 274.2045 |
| Heavy Atoms | 20 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 50422-39-4 |
|---|---|
| SMILES | CCCCCCCC(=O)N1CCC[C@H]1C2=CN=CC=C2 |
| InChIKey | KEQBTQJDZSZAMQ-INIZCTEOSA-N |
Product Overview
N-Octanoylnornicotine (CAS 50422-39-4), with molecular formula C17H26N2O and molecular weight 274.20 g/mol. IUPAC: 1-[(2S)-2-pyridin-3-ylpyrrolidin-1-yl]octan-1-one.
Chemical Property Profile of N-Octanoylnornicotine
Property Insights of N-Octanoylnornicotine
The XLogP value of 3.7 indicates that N-Octanoylnornicotine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 33.2 Ų, N-Octanoylnornicotine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-Octanoylnornicotine 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-Octanoylnornicotine?
The CAS number of N-Octanoylnornicotine is 50422-39-4.
What is the molecular formula of N-Octanoylnornicotine?
The molecular formula of N-Octanoylnornicotine is C17H26N2O.
What is the molecular weight of N-Octanoylnornicotine?
The molecular weight of N-Octanoylnornicotine is 274.20 g/mol.
Where can I buy N-Octanoylnornicotine?
You can request a quote for N-Octanoylnornicotine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-Octanoylnornicotine?
Yes, KEHONG BIO provides custom synthesis services for N-Octanoylnornicotine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.