1-methyl-3-isobutyl-2(1H)-pyrazinone
TL;DR: 1-methyl-3-isobutyl-2(1H)-pyrazinone (CAS 137232-64-5) is a chemical compound with molecular formula C9H14N2O and molecular weight 166.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methyl-3-(2-methylpropyl)pyrazin-2-one
Also Known As: 1-methyl-3-isobutyl-2(1H)-pyrazinone, 3-isobutyl-1-methylpyrazin-2(1H)-one, 1-methyl-3-(2-methylpropyl)pyrazin-2-one
| Molecular Formula | C9H14N2O |
|---|---|
| Molecular Weight | 166.11 g/mol |
| LogP | 0.9788 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 166.11061 |
| Heavy Atoms | 12 |
| Complexity | 314.54974 |
Chemical Identifiers
| CAS Number | 137232-64-5 |
|---|---|
| SMILES | CC(C)CC1=NC=CN(C1=O)C |
Product Overview
1-methyl-3-isobutyl-2(1H)-pyrazinone (CAS 137232-64-5), with molecular formula C9H14N2O and molecular weight 166.11 g/mol. IUPAC: 1-methyl-3-(2-methylpropyl)pyrazin-2-one.
Chemical Property Profile of 1-methyl-3-isobutyl-2(1H)-pyrazinone
Property Insights of 1-methyl-3-isobutyl-2(1H)-pyrazinone
The XLogP value of 0.9788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-methyl-3-isobutyl-2(1H)-pyrazinone. With a topological polar surface area (TPSA) of 34.89 Ų, 1-methyl-3-isobutyl-2(1H)-pyrazinone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-methyl-3-isobutyl-2(1H)-pyrazinone 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 1-methyl-3-isobutyl-2(1H)-pyrazinone?
The CAS number of 1-methyl-3-isobutyl-2(1H)-pyrazinone is 137232-64-5.
What is the molecular formula of 1-methyl-3-isobutyl-2(1H)-pyrazinone?
The molecular formula of 1-methyl-3-isobutyl-2(1H)-pyrazinone is C9H14N2O.
What is the molecular weight of 1-methyl-3-isobutyl-2(1H)-pyrazinone?
The molecular weight of 1-methyl-3-isobutyl-2(1H)-pyrazinone is 166.11 g/mol.
Where can I buy 1-methyl-3-isobutyl-2(1H)-pyrazinone?
You can request a quote for 1-methyl-3-isobutyl-2(1H)-pyrazinone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-methyl-3-isobutyl-2(1H)-pyrazinone?
Yes, KEHONG BIO provides custom synthesis services for 1-methyl-3-isobutyl-2(1H)-pyrazinone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.