3-Chloropyrazine 1-oxide
TL;DR: 3-Chloropyrazine 1-oxide (CAS 6863-76-9) is a chemical compound with molecular formula C4H3ClN2O and molecular weight 129.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-1-oxidopyrazin-1-ium
Also Known As: 3-Chloropyrazine 1-oxide, Pyrazine, 2-chloro-,4-oxide, 3-chloro-1-oxidopyrazin-1-ium, 3-Chloropyrazine1-oxide, 3-chloropyrazine-1-oxide
| Molecular Formula | C4H3ClN2O |
|---|---|
| Molecular Weight | 129.99 g/mol |
| LogP | -0.3 |
| Topological Polar Surface Area | 38.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 129.9934 |
| Heavy Atoms | 8 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 6863-76-9 |
|---|---|
| SMILES | C1=C[N+](=CC(=N1)Cl)[O-] |
| InChIKey | ICTJTHXSPXEBFR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-Chloropyrazine 1-oxide (CAS 6863-76-9), with molecular formula C4H3ClN2O and molecular weight 129.99 g/mol. IUPAC: 3-chloro-1-oxidopyrazin-1-ium.
Chemical Property Profile of 3-Chloropyrazine 1-oxide
Property Insights of 3-Chloropyrazine 1-oxide
The XLogP value of -0.3 indicates that 3-Chloropyrazine 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 38.4 Ų, 3-Chloropyrazine 1-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloropyrazine 1-oxide has 0 hydrogen bond donor(s) and 2 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 3-Chloropyrazine 1-oxide?
The CAS number of 3-Chloropyrazine 1-oxide is 6863-76-9.
What is the molecular formula of 3-Chloropyrazine 1-oxide?
The molecular formula of 3-Chloropyrazine 1-oxide is C4H3ClN2O.
What is the molecular weight of 3-Chloropyrazine 1-oxide?
The molecular weight of 3-Chloropyrazine 1-oxide is 129.99 g/mol.
Where can I buy 3-Chloropyrazine 1-oxide?
You can request a quote for 3-Chloropyrazine 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloropyrazine 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloropyrazine 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.