Pentyl 2-pyridyl ketone
TL;DR: Pentyl 2-pyridyl ketone (CAS 76765-40-7) is a chemical compound with molecular formula C11H15NO and molecular weight 177.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyridin-2-ylhexan-1-one
Also Known As: Pentyl 2-pyridyl ketone, 2-HEXANOYLPYRIDINE, 1-(Pyridin-2-yl)hexan-1-one, 1-pyridin-2-ylhexan-1-one, 1- -1-hexanone
| Molecular Formula | C11H15NO |
|---|---|
| Molecular Weight | 177.12 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 177.11537 |
| Heavy Atoms | 13 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 76765-40-7 |
|---|---|
| SMILES | CCCCCC(=O)C1=CC=CC=N1 |
| InChIKey | ZGKVJWNKQCIUSP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Pentyl 2-pyridyl ketone (CAS 76765-40-7), with molecular formula C11H15NO and molecular weight 177.12 g/mol. IUPAC: 1-pyridin-2-ylhexan-1-one.
Chemical Property Profile of Pentyl 2-pyridyl ketone
Property Insights of Pentyl 2-pyridyl ketone
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Pentyl 2-pyridyl ketone. With a topological polar surface area (TPSA) of 30.0 Ų, Pentyl 2-pyridyl ketone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Pentyl 2-pyridyl ketone 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 Pentyl 2-pyridyl ketone?
The CAS number of Pentyl 2-pyridyl ketone is 76765-40-7.
What is the molecular formula of Pentyl 2-pyridyl ketone?
The molecular formula of Pentyl 2-pyridyl ketone is C11H15NO.
What is the molecular weight of Pentyl 2-pyridyl ketone?
The molecular weight of Pentyl 2-pyridyl ketone is 177.12 g/mol.
Where can I buy Pentyl 2-pyridyl ketone?
You can request a quote for Pentyl 2-pyridyl ketone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Pentyl 2-pyridyl ketone?
Yes, KEHONG BIO provides custom synthesis services for Pentyl 2-pyridyl ketone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.