Hexyl 5-chloropyrazine-2-carboxylate
TL;DR: Hexyl 5-chloropyrazine-2-carboxylate (CAS 169335-34-6) is a chemical compound with molecular formula C11H15ClN2O2 and molecular weight 242.0822 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
hexyl 5-chloropyrazine-2-carboxylate
Also Known As: Pyrazinoic acid ester deriv., Hexyl 5-chloropyrazine-2-carboxylate, 2-Pyrazinecarboxylic acid, 5-chloro-, hexyl ester, 5-Chloro-2-pyrazinecarboxylic acid hexyl ester
Technical Specifications
| Molecular Formula | C11H15ClN2O2 |
| Molecular Weight | 242.0822 g/mol |
| XLogP | 2.8 |
| Topological Polar Surface Area (TPSA) | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 242.0822 Da |
| Heavy Atoms | 16 |
| Complexity | 214.0 |
| SMILES | CCCCCCOC(=O)C1=CN=C(C=N1)Cl |
| InChIKey | KBQFPCWXERWJIE-UHFFFAOYSA-N |
Chemical Property Profile of Hexyl 5-chloropyrazine-2-carboxylate
Property Insights of Hexyl 5-chloropyrazine-2-carboxylate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hexyl 5-chloropyrazine-2-carboxylate. With a topological polar surface area (TPSA) of 52.1 Ų, Hexyl 5-chloropyrazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hexyl 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 Hexyl 5-chloropyrazine-2-carboxylate?
The CAS number of Hexyl 5-chloropyrazine-2-carboxylate is 169335-34-6.
What is the molecular formula of Hexyl 5-chloropyrazine-2-carboxylate?
The molecular formula of Hexyl 5-chloropyrazine-2-carboxylate is C11H15ClN2O2.
What is the molecular weight of Hexyl 5-chloropyrazine-2-carboxylate?
The molecular weight of Hexyl 5-chloropyrazine-2-carboxylate is 242.0822 g/mol.
Where can I buy Hexyl 5-chloropyrazine-2-carboxylate?
You can request a quote for Hexyl 5-chloropyrazine-2-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Hexyl 5-chloropyrazine-2-carboxylate?
Yes, CoreyChem provides custom synthesis services for Hexyl 5-chloropyrazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.