Pyridine, 3-(4-methylhexyl)
TL;DR: Pyridine, 3-(4-methylhexyl) (CAS 140691-67-4) 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.
3-(4-methylhexyl)pyridine
Also Known As: 3-(4-methylhexyl)pyridine, Pyridine, 3-(4-methylhexyl), 3-(4-Methylhexyl)-pyridin, Pyridine, 3-(4-methylhexyl)-
| 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 | 122.0 |
Chemical Identifiers
| CAS Number | 140691-67-4 |
|---|---|
| SMILES | CCC(C)CCCC1=CN=CC=C1 |
| InChIKey | PGALAANWFGPCEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pyridine, 3-(4-methylhexyl) (CAS 140691-67-4), with molecular formula C12H19N and molecular weight 177.15 g/mol. IUPAC: 3-(4-methylhexyl)pyridine.
Chemical Property Profile of Pyridine, 3-(4-methylhexyl)
Property Insights of Pyridine, 3-(4-methylhexyl)
The XLogP value of 3.8 indicates that Pyridine, 3-(4-methylhexyl) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, Pyridine, 3-(4-methylhexyl) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pyridine, 3-(4-methylhexyl) 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 Pyridine, 3-(4-methylhexyl)?
The CAS number of Pyridine, 3-(4-methylhexyl) is 140691-67-4.
What is the molecular formula of Pyridine, 3-(4-methylhexyl)?
The molecular formula of Pyridine, 3-(4-methylhexyl) is C12H19N.
What is the molecular weight of Pyridine, 3-(4-methylhexyl)?
The molecular weight of Pyridine, 3-(4-methylhexyl) is 177.15 g/mol.
Where can I buy Pyridine, 3-(4-methylhexyl)?
You can request a quote for Pyridine, 3-(4-methylhexyl) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pyridine, 3-(4-methylhexyl)?
Yes, KEHONG BIO provides custom synthesis services for Pyridine, 3-(4-methylhexyl) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.