![[(E)-2-cyanoethenyl] acetate structure](/static/products/144/14438-19-8.png)
[(E)-2-cyanoethenyl] acetate
TL;DR: [(E)-2-cyanoethenyl] acetate (CAS 14438-19-8) is a chemical compound with molecular formula C5H5NO2 and molecular weight 111.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-2-cyanoethenyl] acetate
Also Known As: 2-cyanoethenyl acetate, [(E)-2-cyanoethenyl] acetate, 3-Cyanopropenyl acetate, 3-Acetyloxy-2-propenenitrile, 2-cyanoeth-1-en-1-yl acetate
| Molecular Formula | C5H5NO2 |
|---|---|
| Molecular Weight | 111.03 g/mol |
| LogP | 0.58678 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 111.03203 |
| Heavy Atoms | 8 |
| Complexity | 142.99788 |
Chemical Identifiers
| CAS Number | 14438-19-8 |
|---|---|
| SMILES | CC(=O)O/C=C/C#N |
Product Overview
[(E)-2-cyanoethenyl] acetate (CAS 14438-19-8), with molecular formula C5H5NO2 and molecular weight 111.03 g/mol. IUPAC: [(E)-2-cyanoethenyl] acetate.
Chemical Property Profile of [(E)-2-cyanoethenyl] acetate
Property Insights of [(E)-2-cyanoethenyl] acetate
The XLogP value of 0.58678 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-2-cyanoethenyl] acetate. With a topological polar surface area (TPSA) of 50.09 Ų, [(E)-2-cyanoethenyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(E)-2-cyanoethenyl] 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 [(E)-2-cyanoethenyl] acetate?
The CAS number of [(E)-2-cyanoethenyl] acetate is 14438-19-8.
What is the molecular formula of [(E)-2-cyanoethenyl] acetate?
The molecular formula of [(E)-2-cyanoethenyl] acetate is C5H5NO2.
What is the molecular weight of [(E)-2-cyanoethenyl] acetate?
The molecular weight of [(E)-2-cyanoethenyl] acetate is 111.03 g/mol.
Where can I buy [(E)-2-cyanoethenyl] acetate?
You can request a quote for [(E)-2-cyanoethenyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-2-cyanoethenyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(E)-2-cyanoethenyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.