2-Pyrazinecarboxylic acid, methyl ester, 4-oxide
TL;DR: 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide (CAS 770-00-3) is a chemical compound with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-oxidopyrazin-4-ium-2-carboxylate
Also Known As: Methyl 2-pyrazinecarboxylate 4-oxide, 2-carbomethoxy-pyrazine 4-oxide, OSM-S-148, 3-Methoxycarbonylpyrazine 1-oxide, 2-(Methoxycarbonyl)pyrazine 4-oxide
| Molecular Formula | C6H6N2O3 |
|---|---|
| Molecular Weight | 154.04 g/mol |
| LogP | -1.0 |
| Topological Polar Surface Area | 64.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.03784 |
| Heavy Atoms | 11 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 770-00-3 |
|---|---|
| SMILES | COC(=O)C1=NC=C[N+](=C1)[O-] |
| InChIKey | ZTAQCRRTNOJVIU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Pyrazinecarboxylic acid, methyl ester, 4-oxide (CAS 770-00-3), with molecular formula C6H6N2O3 and molecular weight 154.04 g/mol. IUPAC: methyl 4-oxidopyrazin-4-ium-2-carboxylate.
Chemical Property Profile of 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide
Property Insights of 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide
The XLogP value of -1.0 indicates that 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 64.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide. Following Lipinski's Rule of Five, 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide has 0 hydrogen bond donor(s) and 4 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-Pyrazinecarboxylic acid, methyl ester, 4-oxide?
The CAS number of 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide is 770-00-3.
What is the molecular formula of 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide?
The molecular formula of 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide is C6H6N2O3.
What is the molecular weight of 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide?
The molecular weight of 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide is 154.04 g/mol.
Where can I buy 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide?
You can request a quote for 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide?
Yes, KEHONG BIO provides custom synthesis services for 2-Pyrazinecarboxylic acid, methyl ester, 4-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.