5-Methylpyrazin-2(1h)-one 4-oxide
TL;DR: 5-Methylpyrazin-2(1h)-one 4-oxide (CAS 36341-33-0) is a chemical compound with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-methyl-4-oxido-1H-pyrazin-4-ium-2-one
Also Known As: 5-methylpyrazin-2(1h)-one 4-oxide, 6-methyl-1-oxido-4H-pyrazin-3-one, 5-methyl-4-oxido-1H-pyrazin-4-ium-2-one, 2(1H)-Pyrazinone, 5-methyl-, 4-oxide, 6-Methyl-1-oxo-1lambda~5~-pyrazin-3(4H)-one
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | -1.5 |
| Topological Polar Surface Area | 57.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 205.0 |
Chemical Identifiers
| CAS Number | 36341-33-0 |
|---|---|
| SMILES | CC1=CNC(=O)C=[N+]1[O-] |
| InChIKey | BLAGKZUHQRZGKO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-Methylpyrazin-2(1h)-one 4-oxide (CAS 36341-33-0), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: 5-methyl-4-oxido-1H-pyrazin-4-ium-2-one.
Chemical Property Profile of 5-Methylpyrazin-2(1h)-one 4-oxide
Property Insights of 5-Methylpyrazin-2(1h)-one 4-oxide
The XLogP value of -1.5 indicates that 5-Methylpyrazin-2(1h)-one 4-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 57.9 Ų, 5-Methylpyrazin-2(1h)-one 4-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-Methylpyrazin-2(1h)-one 4-oxide has 1 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 5-Methylpyrazin-2(1h)-one 4-oxide?
The CAS number of 5-Methylpyrazin-2(1h)-one 4-oxide is 36341-33-0.
What is the molecular formula of 5-Methylpyrazin-2(1h)-one 4-oxide?
The molecular formula of 5-Methylpyrazin-2(1h)-one 4-oxide is C5H6N2O2.
What is the molecular weight of 5-Methylpyrazin-2(1h)-one 4-oxide?
The molecular weight of 5-Methylpyrazin-2(1h)-one 4-oxide is 126.04 g/mol.
Where can I buy 5-Methylpyrazin-2(1h)-one 4-oxide?
You can request a quote for 5-Methylpyrazin-2(1h)-one 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Methylpyrazin-2(1h)-one 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 5-Methylpyrazin-2(1h)-one 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.