1-(3,6-Dimethyl-2-pyrazinyl)propanone
TL;DR: 1-(3,6-Dimethyl-2-pyrazinyl)propanone (CAS 115609-79-5) is a chemical compound with molecular formula C9H12N2O and molecular weight 164.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,6-dimethylpyrazin-2-yl)propan-1-one
Also Known As: 1-(3,6-Dimethyl-2-pyrazinyl)propanone, 1-(3,6-dimethylpyrazin-2-yl)propan-1-one, 1-(3,6-Dimethyl-2-pyrazinyl)-1-propanone, 1-(3,6-Dimethyl-2-pyrazinyl)-1-propanone #
| Molecular Formula | C9H12N2O |
|---|---|
| Molecular Weight | 164.09 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 42.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 164.09496 |
| Heavy Atoms | 12 |
| Complexity | 170.0 |
Chemical Identifiers
| CAS Number | 115609-79-5 |
|---|---|
| SMILES | CCC(=O)C1=NC(=CN=C1C)C |
| InChIKey | PFRBGMNYBFECCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(3,6-Dimethyl-2-pyrazinyl)propanone (CAS 115609-79-5), with molecular formula C9H12N2O and molecular weight 164.09 g/mol. IUPAC: 1-(3,6-dimethylpyrazin-2-yl)propan-1-one.
Chemical Property Profile of 1-(3,6-Dimethyl-2-pyrazinyl)propanone
Property Insights of 1-(3,6-Dimethyl-2-pyrazinyl)propanone
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(3,6-Dimethyl-2-pyrazinyl)propanone. With a topological polar surface area (TPSA) of 42.9 Ų, 1-(3,6-Dimethyl-2-pyrazinyl)propanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(3,6-Dimethyl-2-pyrazinyl)propanone 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 1-(3,6-Dimethyl-2-pyrazinyl)propanone?
The CAS number of 1-(3,6-Dimethyl-2-pyrazinyl)propanone is 115609-79-5.
What is the molecular formula of 1-(3,6-Dimethyl-2-pyrazinyl)propanone?
The molecular formula of 1-(3,6-Dimethyl-2-pyrazinyl)propanone is C9H12N2O.
What is the molecular weight of 1-(3,6-Dimethyl-2-pyrazinyl)propanone?
The molecular weight of 1-(3,6-Dimethyl-2-pyrazinyl)propanone is 164.09 g/mol.
Where can I buy 1-(3,6-Dimethyl-2-pyrazinyl)propanone?
You can request a quote for 1-(3,6-Dimethyl-2-pyrazinyl)propanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(3,6-Dimethyl-2-pyrazinyl)propanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(3,6-Dimethyl-2-pyrazinyl)propanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.