2-Acetyl-3,5-dimethylpyrazine
TL;DR: 2-Acetyl-3,5-dimethylpyrazine (CAS 54300-08-2) is a chemical compound with molecular formula C8H10N2O and molecular weight 150.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,5-dimethylpyrazin-2-yl)ethanone
Also Known As: 2-Acetyl-3,5-dimethylpyrazine, 1-(3,5-dimethylpyrazin-2-yl)ethanone, Tridecen-1-ol, Ethanone, 1-(3,5-dimethylpyrazinyl)-, 2-Acetyl-3,5(6)-dimethylpyrazine
| Molecular Formula | C8H10N2O |
|---|---|
| Molecular Weight | 150.08 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 150.07932 |
| Heavy Atoms | 11 |
| Complexity | 158.0 |
| Boiling Point | 70.00 °C. @ 7.00 mm Hg |
Chemical Identifiers
| CAS Number | 54300-08-2 |
|---|---|
| SMILES | CC1=CN=C(C(=N1)C)C(=O)C |
| InChIKey | UCGOSAWBWFUKDT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Acetyl-3,5-dimethylpyrazine (CAS 54300-08-2), with molecular formula C8H10N2O and molecular weight 150.08 g/mol. IUPAC: 1-(3,5-dimethylpyrazin-2-yl)ethanone.
Chemical Property Profile of 2-Acetyl-3,5-dimethylpyrazine
Property Insights of 2-Acetyl-3,5-dimethylpyrazine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Acetyl-3,5-dimethylpyrazine. With a topological polar surface area (TPSA) of 42.9 Ų, 2-Acetyl-3,5-dimethylpyrazine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Acetyl-3,5-dimethylpyrazine 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-Acetyl-3,5-dimethylpyrazine?
The CAS number of 2-Acetyl-3,5-dimethylpyrazine is 54300-08-2.
What is the molecular formula of 2-Acetyl-3,5-dimethylpyrazine?
The molecular formula of 2-Acetyl-3,5-dimethylpyrazine is C8H10N2O.
What is the molecular weight of 2-Acetyl-3,5-dimethylpyrazine?
The molecular weight of 2-Acetyl-3,5-dimethylpyrazine is 150.08 g/mol.
Where can I buy 2-Acetyl-3,5-dimethylpyrazine?
You can request a quote for 2-Acetyl-3,5-dimethylpyrazine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Acetyl-3,5-dimethylpyrazine?
Yes, KEHONG BIO provides custom synthesis services for 2-Acetyl-3,5-dimethylpyrazine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.