![[(E)-1-cyanoprop-1-enyl] acetate structure](/static/products/231/23140-10-5.png)
[(E)-1-cyanoprop-1-enyl] acetate
TL;DR: [(E)-1-cyanoprop-1-enyl] acetate (CAS 23140-10-5) is a chemical compound with molecular formula C6H7NO2 and molecular weight 125.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-1-cyanoprop-1-enyl] acetate
Also Known As: 1-cyanoprop-1-enylacetate, 1-cyanoprop-1-en-1-yl acetate, (E)-2-Acetoxy-2-butennitril, 1-Cyanoprop-1-enyl acetate, 2-(Acetyloxy)-2-butenenitrile
| Molecular Formula | C6H7NO2 |
|---|---|
| Molecular Weight | 125.05 g/mol |
| LogP | 0.97688 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.047676 |
| Heavy Atoms | 9 |
| Complexity | 175.9871 |
Chemical Identifiers
| CAS Number | 23140-10-5 |
|---|---|
| SMILES | C/C=C(\C#N)/OC(=O)C |
Product Overview
[(E)-1-cyanoprop-1-enyl] acetate (CAS 23140-10-5), with molecular formula C6H7NO2 and molecular weight 125.05 g/mol. IUPAC: [(E)-1-cyanoprop-1-enyl] acetate.
Chemical Property Profile of [(E)-1-cyanoprop-1-enyl] acetate
Property Insights of [(E)-1-cyanoprop-1-enyl] acetate
The XLogP value of 0.97688 suggests moderate lipophilicity, balancing water solubility and membrane permeability for [(E)-1-cyanoprop-1-enyl] acetate. With a topological polar surface area (TPSA) of 50.09 Ų, [(E)-1-cyanoprop-1-enyl] acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, [(E)-1-cyanoprop-1-enyl] 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)-1-cyanoprop-1-enyl] acetate?
The CAS number of [(E)-1-cyanoprop-1-enyl] acetate is 23140-10-5.
What is the molecular formula of [(E)-1-cyanoprop-1-enyl] acetate?
The molecular formula of [(E)-1-cyanoprop-1-enyl] acetate is C6H7NO2.
What is the molecular weight of [(E)-1-cyanoprop-1-enyl] acetate?
The molecular weight of [(E)-1-cyanoprop-1-enyl] acetate is 125.05 g/mol.
Where can I buy [(E)-1-cyanoprop-1-enyl] acetate?
You can request a quote for [(E)-1-cyanoprop-1-enyl] acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [(E)-1-cyanoprop-1-enyl] acetate?
Yes, KEHONG BIO provides custom synthesis services for [(E)-1-cyanoprop-1-enyl] acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.