Ethyl cyanocycloheptylideneacetate
TL;DR: Ethyl cyanocycloheptylideneacetate (CAS 7402-61-1) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyano-2-cycloheptylideneacetate
Also Known As: 2-Acetyloxirane, ethyl 2-cyano-2-cycloheptylideneacetate, Ethyl cyanocycloheptylideneacetate, ethyl cyano(cycloheptylidene)acetate, ethyl 2-cyano-2-cycloheptylidenacetate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 299.0 |
Chemical Identifiers
| CAS Number | 7402-61-1 |
|---|---|
| SMILES | CCOC(=O)C(=C1CCCCCC1)C#N |
| InChIKey | XMMYBDCCASIJST-UHFFFAOYSA-N |
Product Overview
Ethyl cyanocycloheptylideneacetate (CAS 7402-61-1), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: ethyl 2-cyano-2-cycloheptylideneacetate.
Chemical Property Profile of Ethyl cyanocycloheptylideneacetate
Property Insights of Ethyl cyanocycloheptylideneacetate
The XLogP value of 3.0 indicates that Ethyl cyanocycloheptylideneacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.1 Ų, Ethyl cyanocycloheptylideneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl cyanocycloheptylideneacetate 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 cyanocycloheptylideneacetate?
The CAS number of Ethyl cyanocycloheptylideneacetate is 7402-61-1.
What is the molecular formula of Ethyl cyanocycloheptylideneacetate?
The molecular formula of Ethyl cyanocycloheptylideneacetate is C12H17NO2.
What is the molecular weight of Ethyl cyanocycloheptylideneacetate?
The molecular weight of Ethyl cyanocycloheptylideneacetate is 207.13 g/mol.
Where can I buy Ethyl cyanocycloheptylideneacetate?
You can request a quote for Ethyl cyanocycloheptylideneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyanocycloheptylideneacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyanocycloheptylideneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.