![[(E)-4-cyanobut-3-en-2-yl] acetate structure](/static/products/672/67214-53-3.png)
[(E)-4-cyanobut-3-en-2-yl] acetate
TL;DR: [(E)-4-cyanobut-3-en-2-yl] acetate (CAS 67214-53-3) is a chemical compound with molecular formula C7H9NO2 and molecular weight 139.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-cyanobut-3-en-2-yl] acetate
Also Known As: 4-acetoxypent-2-enenitrile, 4-Acetoxy-2-pentenenitrile, 4-cyanobut-3-en-2-yl acetate, [(E)-4-cyanobut-3-en-2-yl] acetate, J2.800.218A
| Molecular Formula | C7H9NO2 |
|---|---|
| Molecular Weight | 139.06 g/mol |
| LogP | 1.01778 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.06332 |
| Heavy Atoms | 10 |
| Complexity | 178.53535 |
Chemical Identifiers
| CAS Number | 67214-53-3 |
|---|---|
| SMILES | CC(/C=C/C#N)OC(=O)C |
Product Overview
[(E)-4-cyanobut-3-en-2-yl] acetate (CAS 67214-53-3), with molecular formula C7H9NO2 and molecular weight 139.06 g/mol. IUPAC: [(E)-4-cyanobut-3-en-2-yl] acetate.
Chemical Property Profile of [(E)-4-cyanobut-3-en-2-yl] acetate
Property Insights of [(E)-4-cyanobut-3-en-2-yl] acetate
The XLogP value of 1.01778 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-4-cyanobut-3-en-2-yl] acetate. With a topological polar surface area (TPSA) of 50.09 Ų, [(E)-4-cyanobut-3-en-2-yl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(E)-4-cyanobut-3-en-2-yl] 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)-4-cyanobut-3-en-2-yl] acetate?
The CAS number of [(E)-4-cyanobut-3-en-2-yl] acetate is 67214-53-3.
What is the molecular formula of [(E)-4-cyanobut-3-en-2-yl] acetate?
The molecular formula of [(E)-4-cyanobut-3-en-2-yl] acetate is C7H9NO2.
What is the molecular weight of [(E)-4-cyanobut-3-en-2-yl] acetate?
The molecular weight of [(E)-4-cyanobut-3-en-2-yl] acetate is 139.06 g/mol.
Where can I buy [(E)-4-cyanobut-3-en-2-yl] acetate?
You can request a quote for [(E)-4-cyanobut-3-en-2-yl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-4-cyanobut-3-en-2-yl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(E)-4-cyanobut-3-en-2-yl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.