3-Methoxypyrazine 1-oxide
TL;DR: 3-Methoxypyrazine 1-oxide (CAS 23902-69-4) 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.
3-methoxy-1-oxidopyrazin-1-ium
Also Known As: 3-Methoxypyrazine 1-oxide, Pyrazine, 4-oxide, 3-Methoxypyrazin-1-oxid, 2-methoxy-pyrazine 4-oxide, 3-methoxy-1-oxidopyrazin-1-ium
| Molecular Formula | C5H6N2O2 |
|---|---|
| Molecular Weight | 126.04 g/mol |
| LogP | -0.9 |
| Topological Polar Surface Area | 47.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 126.04293 |
| Heavy Atoms | 9 |
| Complexity | 89.0 |
Chemical Identifiers
| CAS Number | 23902-69-4 |
|---|---|
| SMILES | COC1=NC=C[N+](=C1)[O-] |
| InChIKey | NLMXIZXGYUZQDX-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Methoxypyrazine 1-oxide (CAS 23902-69-4), with molecular formula C5H6N2O2 and molecular weight 126.04 g/mol. IUPAC: 3-methoxy-1-oxidopyrazin-1-ium.
Chemical Property Profile of 3-Methoxypyrazine 1-oxide
Property Insights of 3-Methoxypyrazine 1-oxide
The XLogP value of -0.9 indicates that 3-Methoxypyrazine 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 47.6 Ų, 3-Methoxypyrazine 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methoxypyrazine 1-oxide 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 3-Methoxypyrazine 1-oxide?
The CAS number of 3-Methoxypyrazine 1-oxide is 23902-69-4.
What is the molecular formula of 3-Methoxypyrazine 1-oxide?
The molecular formula of 3-Methoxypyrazine 1-oxide is C5H6N2O2.
What is the molecular weight of 3-Methoxypyrazine 1-oxide?
The molecular weight of 3-Methoxypyrazine 1-oxide is 126.04 g/mol.
Where can I buy 3-Methoxypyrazine 1-oxide?
You can request a quote for 3-Methoxypyrazine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxypyrazine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxypyrazine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.