Methyl 5-fluoropyrazine-2-carboxylate
TL;DR: Methyl 5-fluoropyrazine-2-carboxylate (CAS 169335-35-7) is a chemical compound with molecular formula C6H5FN2O2 and molecular weight 156.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-fluoropyrazine-2-carboxylate
Also Known As: Methyl 5-fluoropyrazine-2-carboxylate, Pyrazinoic acid ester deriv., Methyl5-fluoropyrazine-2-carboxylate, Methyl 5-fluoro-2-pyrazinecarboxylate, PYRAZINECARBOXYLIC ACID, 5-FLUORO-, METHYL ESTER (9CI)
| Molecular Formula | C6H5FN2O2 |
|---|---|
| Molecular Weight | 156.03 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 156.03351 |
| Heavy Atoms | 11 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 169335-35-7 |
|---|---|
| SMILES | COC(=O)C1=CN=C(C=N1)F |
| InChIKey | OJSIPUSAMRJSND-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Methyl 5-fluoropyrazine-2-carboxylate (CAS 169335-35-7), with molecular formula C6H5FN2O2 and molecular weight 156.03 g/mol. IUPAC: methyl 5-fluoropyrazine-2-carboxylate.
Chemical Property Profile of Methyl 5-fluoropyrazine-2-carboxylate
Property Insights of Methyl 5-fluoropyrazine-2-carboxylate
The XLogP value of -0.1 indicates that Methyl 5-fluoropyrazine-2-carboxylate 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 5-fluoropyrazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 5-fluoropyrazine-2-carboxylate has 0 hydrogen bond donor(s) and 5 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 5-fluoropyrazine-2-carboxylate?
The CAS number of Methyl 5-fluoropyrazine-2-carboxylate is 169335-35-7.
What is the molecular formula of Methyl 5-fluoropyrazine-2-carboxylate?
The molecular formula of Methyl 5-fluoropyrazine-2-carboxylate is C6H5FN2O2.
What is the molecular weight of Methyl 5-fluoropyrazine-2-carboxylate?
The molecular weight of Methyl 5-fluoropyrazine-2-carboxylate is 156.03 g/mol.
Where can I buy Methyl 5-fluoropyrazine-2-carboxylate?
You can request a quote for Methyl 5-fluoropyrazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 5-fluoropyrazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 5-fluoropyrazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.