Benzyl pyrazine-2-carboxylate
TL;DR: Benzyl pyrazine-2-carboxylate (CAS 169335-29-9) is a chemical compound with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl pyrazine-2-carboxylate
Also Known As: Benzyl pyrazine-2-carboxylate, Pyrazinoic acid ester deriv., 2-Pyrazinecarboxylic acid benzyl ester, 2-Pyrazinecarboxylic acid, phenylmethyl ester
| Molecular Formula | C12H10N2O2 |
|---|---|
| Molecular Weight | 214.07 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 214.07423 |
| Heavy Atoms | 16 |
| Complexity | 227.0 |
Chemical Identifiers
| CAS Number | 169335-29-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)C2=NC=CN=C2 |
| InChIKey | JKPUKCNQAPZRSS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Benzyl pyrazine-2-carboxylate (CAS 169335-29-9), with molecular formula C12H10N2O2 and molecular weight 214.07 g/mol. IUPAC: benzyl pyrazine-2-carboxylate.
Chemical Property Profile of Benzyl pyrazine-2-carboxylate
Property Insights of Benzyl pyrazine-2-carboxylate
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl pyrazine-2-carboxylate. With a topological polar surface area (TPSA) of 52.1 Ų, Benzyl pyrazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl pyrazine-2-carboxylate 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 Benzyl pyrazine-2-carboxylate?
The CAS number of Benzyl pyrazine-2-carboxylate is 169335-29-9.
What is the molecular formula of Benzyl pyrazine-2-carboxylate?
The molecular formula of Benzyl pyrazine-2-carboxylate is C12H10N2O2.
What is the molecular weight of Benzyl pyrazine-2-carboxylate?
The molecular weight of Benzyl pyrazine-2-carboxylate is 214.07 g/mol.
Where can I buy Benzyl pyrazine-2-carboxylate?
You can request a quote for Benzyl pyrazine-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl pyrazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl pyrazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.