2-(1-Propylbutyl)pyridine
TL;DR: 2-(1-Propylbutyl)pyridine (CAS 54518-13-7) is a chemical compound with molecular formula C12H19N and molecular weight 177.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-heptan-4-ylpyridine
Also Known As: 2-(1-Propylbutyl)pyridine, 2-(Heptan-4-yl)pyridine, 2-heptan-4-ylpyridine, starbld0044313, 2- PYRIDINE
| Molecular Formula | C12H19N |
|---|---|
| Molecular Weight | 177.15 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.15175 |
| Heavy Atoms | 13 |
| Complexity | 116.0 |
Chemical Identifiers
| CAS Number | 54518-13-7 |
|---|---|
| SMILES | CCCC(CCC)C1=CC=CC=N1 |
| InChIKey | ZQEAUDWGKFSWMA-UHFFFAOYSA-N |
Product Overview
2-(1-Propylbutyl)pyridine (CAS 54518-13-7), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: 2-heptan-4-ylpyridine.
Chemical Property Profile of 2-(1-Propylbutyl)pyridine
Property Insights of 2-(1-Propylbutyl)pyridine
The XLogP value of 3.8 indicates that 2-(1-Propylbutyl)pyridine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 2-(1-Propylbutyl)pyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(1-Propylbutyl)pyridine 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 2-(1-Propylbutyl)pyridine?
The CAS number of 2-(1-Propylbutyl)pyridine is 54518-13-7.
What is the molecular formula of 2-(1-Propylbutyl)pyridine?
The molecular formula of 2-(1-Propylbutyl)pyridine is C12H19N.
What is the molecular weight of 2-(1-Propylbutyl)pyridine?
The molecular weight of 2-(1-Propylbutyl)pyridine is 177.15 g/mol.
Where can I buy 2-(1-Propylbutyl)pyridine?
You can request a quote for 2-(1-Propylbutyl)pyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1-Propylbutyl)pyridine?
Yes, KEHONG BIO provides custom synthesis services for 2-(1-Propylbutyl)pyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.