Methyl pyrazinoate
TL;DR: Methyl pyrazinoate (CAS 6164-79-0) is a chemical compound with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl pyrazine-2-carboxylate
Also Known As: methyl pyrazine-2-carboxylate, Methyl 2-pyrazinecarboxylate, Methyl pyrazinoate, Pyrazinoic acid methyl ester, Methyl pyrazinecarboxylate
| Molecular Formula | C6H6N2O2 |
|---|---|
| Molecular Weight | 138.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 138.04292 |
| Heavy Atoms | 10 |
| Complexity | 127.0 |
Chemical Identifiers
| CAS Number | 6164-79-0 |
|---|---|
| SMILES | COC(=O)C1=NC=CN=C1 |
| InChIKey | TWIIRMSFZNYMQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl pyrazinoate (CAS 6164-79-0), with molecular formula C6H6N2O2 and molecular weight 138.04 g/mol. IUPAC: methyl pyrazine-2-carboxylate.
Chemical Property Profile of Methyl pyrazinoate
Property Insights of Methyl pyrazinoate
The XLogP value of -0.2 indicates that Methyl pyrazinoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 52.1 Ų, Methyl pyrazinoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl pyrazinoate 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 Methyl pyrazinoate?
The CAS number of Methyl pyrazinoate is 6164-79-0.
What is the molecular formula of Methyl pyrazinoate?
The molecular formula of Methyl pyrazinoate is C6H6N2O2.
What is the molecular weight of Methyl pyrazinoate?
The molecular weight of Methyl pyrazinoate is 138.04 g/mol.
Where can I buy Methyl pyrazinoate?
You can request a quote for Methyl pyrazinoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl pyrazinoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl pyrazinoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.