Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate
TL;DR: Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate (CAS 57093-55-7) 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-(1-methylcyclohexyl)acetate
Also Known As: ethyl 2-cyano-2-(1-methylcyclohexyl)acetate, ethyl cyano(1-methylcyclohexyl)acetate, ethyl2-cyano-2-(1-methylcyclohexyl)acetate, Cyanoacetic acid, 1-methylcyclohexyl, ethyl ester, Acetic acid, 2-cyano-2-(1-methylcyclohexyl), ethyl ester
| Molecular Formula | C12H19NO2 |
|---|---|
| Molecular Weight | 209.14 g/mol |
| LogP | 3.5 |
| 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 | 271.0 |
Chemical Identifiers
| CAS Number | 57093-55-7 |
|---|---|
| SMILES | CCOC(=O)C(C#N)C1(CCCCC1)C |
| InChIKey | ROHCCJIABRKISQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate (CAS 57093-55-7), with molecular formula C12H19NO2 and molecular weight 209.14 g/mol. IUPAC: ethyl 2-cyano-2-(1-methylcyclohexyl)acetate.
Chemical Property Profile of Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate
Property Insights of Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate
The XLogP value of 3.5 indicates that Ethyl 2-cyano-2-(1-methylcyclohexyl)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 2-cyano-2-(1-methylcyclohexyl)acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-cyano-2-(1-methylcyclohexyl)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 2-cyano-2-(1-methylcyclohexyl)acetate?
The CAS number of Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate is 57093-55-7.
What is the molecular formula of Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate?
The molecular formula of Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate is C12H19NO2.
What is the molecular weight of Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate?
The molecular weight of Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate is 209.14 g/mol.
Where can I buy Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate?
You can request a quote for Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-cyano-2-(1-methylcyclohexyl)acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.