Ethyl cyano(cycloheptyl)acetate
TL;DR: Ethyl cyano(cycloheptyl)acetate (CAS 7501-71-5) 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-cyano-2-cycloheptylacetate
Also Known As: ethyl cyano(cycloheptyl)acetate, ethyl 2-cyano-2-cycloheptylacetate, cyano(cycloheptyl)acetic acid ethyl ester
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 209.14159 |
| Heavy Atoms | 15 |
| Complexity | 246.0 |
Chemical Identifiers
| CAS Number | 7501-71-5 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1CCCCCC1 |
| InChIKey | JHRVTMQLGMYHFB-UHFFFAOYSA-N |
Product Overview
Ethyl cyano(cycloheptyl)acetate (CAS 7501-71-5), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: ethyl 2-cyano-2-cycloheptylacetate.
Chemical Property Profile of Ethyl cyano(cycloheptyl)acetate
Property Insights of Ethyl cyano(cycloheptyl)acetate
The XLogP value of 3.7 indicates that Ethyl cyano(cycloheptyl)acetate 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 cyano(cycloheptyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl cyano(cycloheptyl)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 Ethyl cyano(cycloheptyl)acetate?
The CAS number of Ethyl cyano(cycloheptyl)acetate is 7501-71-5.
What is the molecular formula of Ethyl cyano(cycloheptyl)acetate?
The molecular formula of Ethyl cyano(cycloheptyl)acetate is C12H19NO2.
What is the molecular weight of Ethyl cyano(cycloheptyl)acetate?
The molecular weight of Ethyl cyano(cycloheptyl)acetate is 209.14 g/mol.
Where can I buy Ethyl cyano(cycloheptyl)acetate?
You can request a quote for Ethyl cyano(cycloheptyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyano(cycloheptyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyano(cycloheptyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.