Ethyl 2-cyanonon-2-enoate
TL;DR: Ethyl 2-cyanonon-2-enoate (CAS 1114-74-5) is a chemical compound with molecular formula C12H19NO2 and molecular weight 209.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyanonon-2-enoate
Also Known As: Ethyl 2-cyanonon-2-enoate, 2-cyano-non-2-enoic acid ethyl ester
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 2.96988 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 250.83795 |
Chemical Identifiers
| CAS Number | 1114-74-5 |
|---|---|
| SMILES | CCCCCCC=C(C#N)C(=O)OCC |
Product Overview
Ethyl 2-cyanonon-2-enoate (CAS 1114-74-5), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: ethyl 2-cyanonon-2-enoate.
Chemical Property Profile of Ethyl 2-cyanonon-2-enoate
Property Insights of Ethyl 2-cyanonon-2-enoate
The XLogP value of 2.96988 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-cyanonon-2-enoate. With a topological polar surface area (TPSA) of 50.09 Ų, Ethyl 2-cyanonon-2-enoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyanonon-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 2-cyanonon-2-enoate?
The CAS number of Ethyl 2-cyanonon-2-enoate is 1114-74-5.
What is the molecular formula of Ethyl 2-cyanonon-2-enoate?
The molecular formula of Ethyl 2-cyanonon-2-enoate is C12H19NO2.
What is the molecular weight of Ethyl 2-cyanonon-2-enoate?
The molecular weight of Ethyl 2-cyanonon-2-enoate is 209.14 g/mol.
Where can I buy Ethyl 2-cyanonon-2-enoate?
You can request a quote for Ethyl 2-cyanonon-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 2-cyanonon-2-enoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyanonon-2-enoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.