Ethyl 3-cyanoprop-2-enoate
TL;DR: Ethyl 3-cyanoprop-2-enoate (CAS 3307-88-8) 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.
ethyl (E)-3-cyanoprop-2-enoate
Also Known As: Ethyl 3-cyanoprop-2-enoate, ethyl3-cyanoacrylate, Ethyl cis-(beta-cyano)acrylate, 3-ethoxycarbonylacrylonitrile, ethyl beta-cyanoacrylate
| Molecular Formula | C6H7NO2 |
|---|---|
| Molecular Weight | 125.05 g/mol |
| LogP | 0.62928 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 125.047676 |
| Heavy Atoms | 9 |
| Complexity | 154.93102 |
Chemical Identifiers
| CAS Number | 3307-88-8 |
|---|---|
| SMILES | CCOC(=O)/C=C/C#N |
Product Overview
Ethyl 3-cyanoprop-2-enoate (CAS 3307-88-8), with molecular formula C6H7NO2 and molecular weight 125.05 g/mol. IUPAC: ethyl (E)-3-cyanoprop-2-enoate.
Chemical Property Profile of Ethyl 3-cyanoprop-2-enoate
Property Insights of Ethyl 3-cyanoprop-2-enoate
The XLogP value of 0.62928 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 3-cyanoprop-2-enoate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 3-cyanoprop-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 3-cyanoprop-2-enoate 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 Ethyl 3-cyanoprop-2-enoate?
The CAS number of Ethyl 3-cyanoprop-2-enoate is 3307-88-8.
What is the molecular formula of Ethyl 3-cyanoprop-2-enoate?
The molecular formula of Ethyl 3-cyanoprop-2-enoate is C6H7NO2.
What is the molecular weight of Ethyl 3-cyanoprop-2-enoate?
The molecular weight of Ethyl 3-cyanoprop-2-enoate is 125.05 g/mol.
Where can I buy Ethyl 3-cyanoprop-2-enoate?
You can request a quote for Ethyl 3-cyanoprop-2-enoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 3-cyanoprop-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 3-cyanoprop-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.