2-Cyanoethyl acetate
TL;DR: 2-Cyanoethyl acetate (CAS 5758-19-0) is a chemical compound with molecular formula C5H7NO2 and molecular weight 113.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-cyanoethyl acetate
Also Known As: 2-cyanoethyl acetate, cyanoethyl acetate, cyanoethylacetate, 3-acetoxypropionitrile, 3-acetoxy-propionitrile
| Molecular Formula | C5H7NO2 |
|---|---|
| Molecular Weight | 113.05 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 113.047676 |
| Heavy Atoms | 8 |
| Complexity | 122.0 |
Chemical Identifiers
| CAS Number | 5758-19-0 |
|---|---|
| SMILES | CC(=O)OCCC#N |
| InChIKey | IJJJSNBMFDDFBC-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Cyanoethyl acetate (CAS 5758-19-0), with molecular formula C5H7NO2 and molecular weight 113.05 g/mol. IUPAC: 2-cyanoethyl acetate.
Chemical Property Profile of 2-Cyanoethyl acetate
Property Insights of 2-Cyanoethyl acetate
The XLogP value of -0.2 indicates that 2-Cyanoethyl acetate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Cyanoethyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyanoethyl acetate 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-Cyanoethyl acetate?
The CAS number of 2-Cyanoethyl acetate is 5758-19-0.
What is the molecular formula of 2-Cyanoethyl acetate?
The molecular formula of 2-Cyanoethyl acetate is C5H7NO2.
What is the molecular weight of 2-Cyanoethyl acetate?
The molecular weight of 2-Cyanoethyl acetate is 113.05 g/mol.
Where can I buy 2-Cyanoethyl acetate?
You can request a quote for 2-Cyanoethyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyanoethyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyanoethyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.