2,6-二乙酰基吡啶
TL;DR: 2,6-二乙酰基吡啶 (CAS 1129-30-2) is a chemical compound with molecular formula C9H9NO2 and molecular weight 163.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,6-二乙酰基吡啶
1-(6-acetyl-2-pyridinyl)ethanone
Also Known As: 2,6-Diacetylpyridine, Pyridine-2,6-diacetyl, 1-(6-acetylpyridin-2-yl)ethanone, 2,6diacetylpyridine, Pyridine2,6diacetyl
| Molecular Formula | C9H9NO2 |
|---|---|
| Molecular Weight | 163.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 47.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 163.06332 |
| Heavy Atoms | 12 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 1129-30-2 |
|---|---|
| SMILES | CC(=O)C1=NC(=CC=C1)C(=O)C |
| InChIKey | BEZVGIHGZPLGBL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,6-二乙酰基吡啶 (CAS 1129-30-2), with molecular formula C9H9NO2 and molecular weight 163.06 g/mol. IUPAC: 1-(6-acetyl-2-pyridinyl)ethanone.
Chemical Property Profile of 2,6-二乙酰基吡啶
Property Insights of 2,6-二乙酰基吡啶
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,6-二乙酰基吡啶. With a topological polar surface area (TPSA) of 47.0 Ų, 2,6-二乙酰基吡啶 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-二乙酰基吡啶 has 0 hydrogen bond donor(s) and 3 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 2,6-二乙酰基吡啶?
The CAS number of 2,6-二乙酰基吡啶 is 1129-30-2.
What is the molecular formula of 2,6-二乙酰基吡啶?
The molecular formula of 2,6-二乙酰基吡啶 is C9H9NO2.
What is the molecular weight of 2,6-二乙酰基吡啶?
The molecular weight of 2,6-二乙酰基吡啶 is 163.06 g/mol.
Where can I buy 2,6-二乙酰基吡啶?
You can request a quote for 2,6-二乙酰基吡啶 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-二乙酰基吡啶?
Yes, KEHONG BIO provides custom synthesis services for 2,6-二乙酰基吡啶 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.