2-Phenyl-2-pyrazin-2-ylacetonitrile
TL;DR: 2-Phenyl-2-pyrazin-2-ylacetonitrile (CAS 1080-87-1) is a chemical compound with molecular formula C12H9N3 and molecular weight 195.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-phenyl-2-pyrazin-2-ylacetonitrile
Also Known As: 2-phenyl-2-pyrazin-2-ylacetonitrile, (2-Pyrazinyl)phenylacetonitrile, phenyl(2-pyrazinyl)acetonitrile, 2-phenyl-2-(pyrazin-2-yl)acetonitrile, 2-pyrazineacetonitrile,
| Molecular Formula | C12H9N3 |
|---|---|
| Molecular Weight | 195.08 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 195.07965 |
| Heavy Atoms | 15 |
| Complexity | 236.0 |
Chemical Identifiers
| CAS Number | 1080-87-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C#N)C2=NC=CN=C2 |
| InChIKey | WOSTXRNGUMYIBI-UHFFFAOYSA-N |
Product Overview
2-Phenyl-2-pyrazin-2-ylacetonitrile (CAS 1080-87-1), with molecular formula C12H9N3 and molecular weight 195.08 g/mol. IUPAC: 2-phenyl-2-pyrazin-2-ylacetonitrile.
Chemical Property Profile of 2-Phenyl-2-pyrazin-2-ylacetonitrile
Property Insights of 2-Phenyl-2-pyrazin-2-ylacetonitrile
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Phenyl-2-pyrazin-2-ylacetonitrile. With a topological polar surface area (TPSA) of 49.6 Ų, 2-Phenyl-2-pyrazin-2-ylacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Phenyl-2-pyrazin-2-ylacetonitrile has 0 hydrogen bond donor(s) and 3 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-Phenyl-2-pyrazin-2-ylacetonitrile?
The CAS number of 2-Phenyl-2-pyrazin-2-ylacetonitrile is 1080-87-1.
What is the molecular formula of 2-Phenyl-2-pyrazin-2-ylacetonitrile?
The molecular formula of 2-Phenyl-2-pyrazin-2-ylacetonitrile is C12H9N3.
What is the molecular weight of 2-Phenyl-2-pyrazin-2-ylacetonitrile?
The molecular weight of 2-Phenyl-2-pyrazin-2-ylacetonitrile is 195.08 g/mol.
Where can I buy 2-Phenyl-2-pyrazin-2-ylacetonitrile?
You can request a quote for 2-Phenyl-2-pyrazin-2-ylacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Phenyl-2-pyrazin-2-ylacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Phenyl-2-pyrazin-2-ylacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.