Benzyl 5-chloropyrazine-2-carboxylate
TL;DR: Benzyl 5-chloropyrazine-2-carboxylate (CAS 169335-51-7) is a chemical compound with molecular formula C12H9ClN2O2 and molecular weight 248.03525 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
benzyl 5-chloropyrazine-2-carboxylate
Also Known As: Pyrazinoic acid ester deriv., Benzyl 5-chloropyrazine-2-carboxylate, 5-Chloro-2-pyrazinecarboxylic acid benzyl ester, 5-chloropyrazine-2-carboxylic acid benzyl ester, 2-Pyrazinecarboxylic acid, 5-chloro-, phenylmethyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C12H9ClN2O2 |
| Molecular Weight | 248.03525 g/mol |
| XLogP | 2.0 |
| Topological Polar Surface Area (TPSA) | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 248.03525 Da |
| Heavy Atoms | 17 |
| Complexity | 257.0 |
| SMILES | C1=CC=C(C=C1)COC(=O)C2=CN=C(C=N2)Cl |
| InChIKey | DFNWMUCBYQDFII-UHFFFAOYSA-N |
Chemical Property Profile of Benzyl 5-chloropyrazine-2-carboxylate
Property Insights of Benzyl 5-chloropyrazine-2-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl 5-chloropyrazine-2-carboxylate. With a topological polar surface area (TPSA) of 52.1 Ų, Benzyl 5-chloropyrazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzyl 5-chloropyrazine-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
What is the CAS number of Benzyl 5-chloropyrazine-2-carboxylate?
The CAS number of Benzyl 5-chloropyrazine-2-carboxylate is 169335-51-7.
What is the molecular formula of Benzyl 5-chloropyrazine-2-carboxylate?
The molecular formula of Benzyl 5-chloropyrazine-2-carboxylate is C12H9ClN2O2.
What is the molecular weight of Benzyl 5-chloropyrazine-2-carboxylate?
The molecular weight of Benzyl 5-chloropyrazine-2-carboxylate is 248.03525 g/mol.
Where can I buy Benzyl 5-chloropyrazine-2-carboxylate?
You can request a quote for Benzyl 5-chloropyrazine-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzyl 5-chloropyrazine-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Benzyl 5-chloropyrazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.