2-Quinoxalineacetonitrile
TL;DR: 2-Quinoxalineacetonitrile (CAS 14115-70-9) is a chemical compound with molecular formula C10H7N3 and molecular weight 169.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-quinoxalin-2-ylacetonitrile
Also Known As: 2-Quinoxalineacetonitrile, 2-(quinoxalin-2-yl)acetonitrile, 2-quinoxalin-2-ylacetonitrile, 2-quinoxalylacetonitrile, (Quinoxalin-2-yl)acetonitrile
| Molecular Formula | C10H7N3 |
|---|---|
| Molecular Weight | 169.06 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 49.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.064 |
| Heavy Atoms | 13 |
| Complexity | 217.0 |
Chemical Identifiers
| CAS Number | 14115-70-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=CC(=N2)CC#N |
| InChIKey | IYSRPUZNTHPOHK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Quinoxalineacetonitrile (CAS 14115-70-9), with molecular formula C10H7N3 and molecular weight 169.06 g/mol. IUPAC: 2-quinoxalin-2-ylacetonitrile.
Chemical Property Profile of 2-Quinoxalineacetonitrile
Property Insights of 2-Quinoxalineacetonitrile
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Quinoxalineacetonitrile. With a topological polar surface area (TPSA) of 49.6 Ų, 2-Quinoxalineacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Quinoxalineacetonitrile 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-Quinoxalineacetonitrile?
The CAS number of 2-Quinoxalineacetonitrile is 14115-70-9.
What is the molecular formula of 2-Quinoxalineacetonitrile?
The molecular formula of 2-Quinoxalineacetonitrile is C10H7N3.
What is the molecular weight of 2-Quinoxalineacetonitrile?
The molecular weight of 2-Quinoxalineacetonitrile is 169.06 g/mol.
Where can I buy 2-Quinoxalineacetonitrile?
You can request a quote for 2-Quinoxalineacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Quinoxalineacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for 2-Quinoxalineacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.