Ethyl cyanocyclohexylideneacetate
TL;DR: Ethyl cyanocyclohexylideneacetate (CAS 6802-76-2) is a chemical compound with molecular formula C11H15NO2 and molecular weight 193.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-cyclohexylideneacetate
Also Known As: ethyl 2-cyano-2-cyclohexylideneacetate, Ethyl cyanocyclohexylideneacetate, ethyl cyano(cyclohexylidene)acetate, 2-Cyano-2-cyclohexylideneacetic Acid Ethyl Ester, ethyl cyclohexylidenecyanoacetate
| Molecular Formula | C11H15NO2 |
|---|---|
| Molecular Weight | 193.11 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 193.11028 |
| Heavy Atoms | 14 |
| Complexity | 288.0 |
Chemical Identifiers
| CAS Number | 6802-76-2 |
|---|---|
| SMILES | CCOC(=O)C(=C1CCCCC1)C#N |
| InChIKey | PZAJJZJKRVXKCS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl cyanocyclohexylideneacetate (CAS 6802-76-2), with molecular formula C11H15NO2 and molecular weight 193.11 g/mol. IUPAC: ethyl 2-cyano-2-cyclohexylideneacetate.
Chemical Property Profile of Ethyl cyanocyclohexylideneacetate
Property Insights of Ethyl cyanocyclohexylideneacetate
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl cyanocyclohexylideneacetate. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl cyanocyclohexylideneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl cyanocyclohexylideneacetate 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 cyanocyclohexylideneacetate?
The CAS number of Ethyl cyanocyclohexylideneacetate is 6802-76-2.
What is the molecular formula of Ethyl cyanocyclohexylideneacetate?
The molecular formula of Ethyl cyanocyclohexylideneacetate is C11H15NO2.
What is the molecular weight of Ethyl cyanocyclohexylideneacetate?
The molecular weight of Ethyl cyanocyclohexylideneacetate is 193.11 g/mol.
Where can I buy Ethyl cyanocyclohexylideneacetate?
You can request a quote for Ethyl cyanocyclohexylideneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyanocyclohexylideneacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyanocyclohexylideneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.