2-Methylpropyl pyrazine-2-carboxylate
TL;DR: 2-Methylpropyl pyrazine-2-carboxylate (CAS 158905-14-7) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.08987 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-methylpropyl pyrazine-2-carboxylate
Also Known As: 2-Methylpropyl pyrazine-2-carboxylate, Pyrazinoic acid ester deriv., isobutyl pyrazine-2-carboxylate, 2-Pyrazinecarboxylic acid isobutyl ester, Pyrazinecarboxylic acid,2-methylpropyl ester
Application Areas
Top 5 of 1 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C9H12N2O2 |
| Molecular Weight | 180.08987 g/mol |
| XLogP | 1.2 |
| Topological Polar Surface Area (TPSA) | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 180.08987 Da |
| Heavy Atoms | 13 |
| Complexity | 171.0 |
| SMILES | CC(C)COC(=O)C1=NC=CN=C1 |
| InChIKey | USUPZWMFSOZLLN-UHFFFAOYSA-N |
Chemical Property Profile of 2-Methylpropyl pyrazine-2-carboxylate
Property Insights of 2-Methylpropyl pyrazine-2-carboxylate
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Methylpropyl pyrazine-2-carboxylate. With a topological polar surface area (TPSA) of 52.1 Ų, 2-Methylpropyl pyrazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Methylpropyl 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
What is the CAS number of 2-Methylpropyl pyrazine-2-carboxylate?
The CAS number of 2-Methylpropyl pyrazine-2-carboxylate is 158905-14-7.
What is the molecular formula of 2-Methylpropyl pyrazine-2-carboxylate?
The molecular formula of 2-Methylpropyl pyrazine-2-carboxylate is C9H12N2O2.
What is the molecular weight of 2-Methylpropyl pyrazine-2-carboxylate?
The molecular weight of 2-Methylpropyl pyrazine-2-carboxylate is 180.08987 g/mol.
Where can I buy 2-Methylpropyl pyrazine-2-carboxylate?
You can request a quote for 2-Methylpropyl pyrazine-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-Methylpropyl pyrazine-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for 2-Methylpropyl pyrazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.