2-(2-Ethylcycloheptyl)ethyl cyanoacetate
TL;DR: 2-(2-Ethylcycloheptyl)ethyl cyanoacetate (CAS 93841-17-9) is a chemical compound with molecular formula C14H23NO2 and molecular weight 237.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-ethylcycloheptyl)ethyl 2-cyanoacetate
Also Known As: 2-(2-Ethylcycloheptyl)ethyl cyanoacetate, EINECS 298-987-8, 2-(2-ethylcycloheptyl)ethyl 2-cyanoacetate, Cyanoacetic acid 2-(2-ethylcycloheptyl)ethyl ester
| Molecular Formula | C14H23NO2 |
|---|---|
| Molecular Weight | 237.17 g/mol |
| LogP | 3.43988 |
| Topological Polar Surface Area | 50.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 237.17288 |
| Heavy Atoms | 17 |
| Complexity | 269.886 |
Chemical Identifiers
| CAS Number | 93841-17-9 |
|---|---|
| SMILES | CCC1CCCCCC1CCOC(=O)CC#N |
Product Overview
2-(2-Ethylcycloheptyl)ethyl cyanoacetate (CAS 93841-17-9), with molecular formula C14H23NO2 and molecular weight 237.17 g/mol. IUPAC: 2-(2-ethylcycloheptyl)ethyl 2-cyanoacetate.
Chemical Property Profile of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate
Property Insights of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate
The XLogP value of 3.43988 indicates that 2-(2-Ethylcycloheptyl)ethyl cyanoacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 50.09 Ų, 2-(2-Ethylcycloheptyl)ethyl cyanoacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Ethylcycloheptyl)ethyl cyanoacetate 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 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
The CAS number of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate is 93841-17-9.
What is the molecular formula of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
The molecular formula of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate is C14H23NO2.
What is the molecular weight of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
The molecular weight of 2-(2-Ethylcycloheptyl)ethyl cyanoacetate is 237.17 g/mol.
Where can I buy 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
You can request a quote for 2-(2-Ethylcycloheptyl)ethyl cyanoacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Ethylcycloheptyl)ethyl cyanoacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Ethylcycloheptyl)ethyl cyanoacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.