乙酰基吡嗪
TL;DR: 乙酰基吡嗪 (CAS 22047-25-2) is a chemical compound with molecular formula C6H6N2O and molecular weight 122.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
乙酰基吡嗪
1-pyrazin-2-ylethanone
Also Known As: Acetylpyrazine, 2-ACETYLPYRAZINE, Ethanone, 1-pyrazinyl-, Methyl pyrazinyl ketone, 1-Pyrazinylethanone
| Molecular Formula | C6H6N2O |
|---|---|
| Molecular Weight | 122.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 122.04801 |
| Heavy Atoms | 9 |
| Complexity | 114.0 |
| Melting Point | 75 - 77 °C |
| Solubility | slightly soluble in water; soluble in organic solvents |
Chemical Identifiers
| CAS Number | 22047-25-2 |
|---|---|
| SMILES | CC(=O)C1=NC=CN=C1 |
| InChIKey | DBZAKQWXICEWNW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 18 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
乙酰基吡嗪 (CAS 22047-25-2), with molecular formula C6H6N2O and molecular weight 122.05 g/mol. IUPAC: 1-pyrazin-2-ylethanone.
Chemical Property Profile of 乙酰基吡嗪
Property Insights of 乙酰基吡嗪
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 乙酰基吡嗪. With a topological polar surface area (TPSA) of 42.9 Ų, 乙酰基吡嗪 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 乙酰基吡嗪 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 乙酰基吡嗪?
The CAS number of 乙酰基吡嗪 is 22047-25-2.
What is the molecular formula of 乙酰基吡嗪?
The molecular formula of 乙酰基吡嗪 is C6H6N2O.
What is the molecular weight of 乙酰基吡嗪?
The molecular weight of 乙酰基吡嗪 is 122.05 g/mol.
Where can I buy 乙酰基吡嗪?
You can request a quote for 乙酰基吡嗪 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 乙酰基吡嗪?
Yes, KEHONG BIO provides custom synthesis services for 乙酰基吡嗪 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.