1-(Pyridin-4-yl)octan-1-one
TL;DR: 1-(Pyridin-4-yl)octan-1-one (CAS 5470-17-7) is a chemical compound with molecular formula C13H19NO and molecular weight 205.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyridin-4-yloctan-1-one
Also Known As: 1-(Pyridin-4-yl)octan-1-one, Heptyl 4-pyridyl ketone, 1-(4-Pyridyl)-1-octanone, 1-Octanone, 1-(4-pyridyl)-, 1-pyridin-4-yloctan-1-one
| Molecular Formula | C13H19NO |
|---|---|
| Molecular Weight | 205.15 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 205.14667 |
| Heavy Atoms | 15 |
| Complexity | 173.0 |
Chemical Identifiers
| CAS Number | 5470-17-7 |
|---|---|
| SMILES | CCCCCCCC(=O)C1=CC=NC=C1 |
| InChIKey | NFJVDNUUKKYRHM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(Pyridin-4-yl)octan-1-one (CAS 5470-17-7), with molecular formula C13H19NO and molecular weight 205.15 g/mol. IUPAC: 1-pyridin-4-yloctan-1-one.
Chemical Property Profile of 1-(Pyridin-4-yl)octan-1-one
Property Insights of 1-(Pyridin-4-yl)octan-1-one
The XLogP value of 3.5 indicates that 1-(Pyridin-4-yl)octan-1-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 30.0 Ų, 1-(Pyridin-4-yl)octan-1-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Pyridin-4-yl)octan-1-one 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 1-(Pyridin-4-yl)octan-1-one?
The CAS number of 1-(Pyridin-4-yl)octan-1-one is 5470-17-7.
What is the molecular formula of 1-(Pyridin-4-yl)octan-1-one?
The molecular formula of 1-(Pyridin-4-yl)octan-1-one is C13H19NO.
What is the molecular weight of 1-(Pyridin-4-yl)octan-1-one?
The molecular weight of 1-(Pyridin-4-yl)octan-1-one is 205.15 g/mol.
Where can I buy 1-(Pyridin-4-yl)octan-1-one?
You can request a quote for 1-(Pyridin-4-yl)octan-1-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Pyridin-4-yl)octan-1-one?
Yes, KEHONG BIO provides custom synthesis services for 1-(Pyridin-4-yl)octan-1-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.