2-Chloroethyl pyrazine-2-carboxylate
TL;DR: 2-Chloroethyl pyrazine-2-carboxylate (CAS 139244-49-8) is a chemical compound with molecular formula C7H7ClN2O2 and molecular weight 186.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl pyrazine-2-carboxylate
Also Known As: 2-Chloroethyl Pyrazinoate, 2-chloroethyl pyrazine-2-carboxylate
| Molecular Formula | C7H7ClN2O2 |
|---|---|
| Molecular Weight | 186.02 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 52.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 186.0196 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
Chemical Identifiers
| CAS Number | 139244-49-8 |
|---|---|
| SMILES | C1=CN=C(C=N1)C(=O)OCCCl |
| InChIKey | VBNITGRGLZJYQN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloroethyl pyrazine-2-carboxylate (CAS 139244-49-8), with molecular formula C7H7ClN2O2 and molecular weight 186.02 g/mol. IUPAC: 2-chloroethyl pyrazine-2-carboxylate.
Chemical Property Profile of 2-Chloroethyl pyrazine-2-carboxylate
Property Insights of 2-Chloroethyl pyrazine-2-carboxylate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloroethyl pyrazine-2-carboxylate. With a topological polar surface area (TPSA) of 52.1 Ų, 2-Chloroethyl pyrazine-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloroethyl 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 2-Chloroethyl pyrazine-2-carboxylate?
The CAS number of 2-Chloroethyl pyrazine-2-carboxylate is 139244-49-8.
What is the molecular formula of 2-Chloroethyl pyrazine-2-carboxylate?
The molecular formula of 2-Chloroethyl pyrazine-2-carboxylate is C7H7ClN2O2.
What is the molecular weight of 2-Chloroethyl pyrazine-2-carboxylate?
The molecular weight of 2-Chloroethyl pyrazine-2-carboxylate is 186.02 g/mol.
Where can I buy 2-Chloroethyl pyrazine-2-carboxylate?
You can request a quote for 2-Chloroethyl 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 2-Chloroethyl pyrazine-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloroethyl pyrazine-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.