4-Acetylpyridine
TL;DR: 4-Acetylpyridine (CAS 1122-54-9) is a chemical compound with molecular formula C7H7NO and molecular weight 121.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-pyridin-4-ylethanone
Also Known As: 4-Acetylpyridine, 1-pyridin-4-ylethanone, Methyl 4-pyridyl ketone, 4-Acetyl pyridine, Pyridine, 4-acetyl-
| Molecular Formula | C7H7NO |
|---|---|
| Molecular Weight | 121.05 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 30.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.052765 |
| Heavy Atoms | 9 |
| Complexity | 105.0 |
| Boiling Point | 212.2 °C at 760 mmHg |
| Density | 1.111 at 23.4 °C |
| Solubility | greater than or equal to 100 mg/mL at 66 °F (NTP, 1992) |
| Flash Point | greater than 93.3 °C |
| Vapor Pressure | 4.9 mmHg at 25.0 °C ; 6.1 mmHg at 34.5 °C |
Chemical Identifiers
| CAS Number | 1122-54-9 |
|---|---|
| SMILES | CC(=O)C1=CC=NC=C1 |
| InChIKey | WMQUKDQWMMOHSA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-Acetylpyridine (CAS 1122-54-9), with molecular formula C7H7NO and molecular weight 121.05 g/mol. IUPAC: 1-pyridin-4-ylethanone.
Chemical Property Profile of 4-Acetylpyridine
Property Insights of 4-Acetylpyridine
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Acetylpyridine. With a topological polar surface area (TPSA) of 30.0 Ų, 4-Acetylpyridine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Acetylpyridine 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 4-Acetylpyridine?
The CAS number of 4-Acetylpyridine is 1122-54-9.
What is the molecular formula of 4-Acetylpyridine?
The molecular formula of 4-Acetylpyridine is C7H7NO.
What is the molecular weight of 4-Acetylpyridine?
The molecular weight of 4-Acetylpyridine is 121.05 g/mol.
Where can I buy 4-Acetylpyridine?
You can request a quote for 4-Acetylpyridine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Acetylpyridine?
Yes, KEHONG BIO provides custom synthesis services for 4-Acetylpyridine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.