Ethoxyacetonitrile
TL;DR: Ethoxyacetonitrile (CAS 62957-60-2) is a chemical compound with molecular formula C4H7NO and molecular weight 85.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-ethoxyacetonitrile
Also Known As: 2-ethoxyacetonitrile, Ethoxyacetonitrile, Aethoxyacetonitril, Acetonitrile, ethoxy-, Ethoxyacetonitrile #
| Molecular Formula | C4H7NO |
|---|---|
| Molecular Weight | 85.05 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 33.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 85.052765 |
| Heavy Atoms | 6 |
| Complexity | 61.0 |
Chemical Identifiers
| CAS Number | 62957-60-2 |
|---|---|
| SMILES | CCOCC#N |
| InChIKey | WPYUCWSMVJJWFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethoxyacetonitrile (CAS 62957-60-2), with molecular formula C4H7NO and molecular weight 85.05 g/mol. IUPAC: 2-ethoxyacetonitrile.
Chemical Property Profile of Ethoxyacetonitrile
Property Insights of Ethoxyacetonitrile
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethoxyacetonitrile. With a topological polar surface area (TPSA) of 33.0 Ų, Ethoxyacetonitrile exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethoxyacetonitrile 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 Ethoxyacetonitrile?
The CAS number of Ethoxyacetonitrile is 62957-60-2.
What is the molecular formula of Ethoxyacetonitrile?
The molecular formula of Ethoxyacetonitrile is C4H7NO.
What is the molecular weight of Ethoxyacetonitrile?
The molecular weight of Ethoxyacetonitrile is 85.05 g/mol.
Where can I buy Ethoxyacetonitrile?
You can request a quote for Ethoxyacetonitrile directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethoxyacetonitrile?
Yes, KEHONG BIO provides custom synthesis services for Ethoxyacetonitrile and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.