2-Cyano-2-ethylcyclohexyl acetate
TL;DR: 2-Cyano-2-ethylcyclohexyl acetate (CAS 1331-45-9) is a chemical compound with molecular formula C11H17NO2 and molecular weight 195.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-cyano-2-ethylcyclohexyl) acetate
Also Known As: Ethylcyanocyclohexyl acetate, (2-cyano-2-ethylcyclohexyl) acetate, (Acetyloxy)ethylcyclohexanecarbonitrile, 2-CYANO-2-ETHYLCYCLOHEXYL ACETATE, Cyclohexanecarbonitrile, (acetyloxy)ethyl-
| Molecular Formula | C11H17NO2 |
|---|---|
| Molecular Weight | 195.13 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 50.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 195.12593 |
| Heavy Atoms | 14 |
| Complexity | 266.0 |
Chemical Identifiers
| CAS Number | 1331-45-9 |
|---|---|
| SMILES | CCC1(CCCCC1OC(=O)C)C#N |
| InChIKey | KZFIGILTDRNYEJ-UHFFFAOYSA-N |
Product Overview
2-Cyano-2-ethylcyclohexyl acetate (CAS 1331-45-9), with molecular formula C11H17NO2 and molecular weight 195.13 g/mol. IUPAC: (2-cyano-2-ethylcyclohexyl) acetate.
Chemical Property Profile of 2-Cyano-2-ethylcyclohexyl acetate
Property Insights of 2-Cyano-2-ethylcyclohexyl acetate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyano-2-ethylcyclohexyl acetate. With a topological polar surface area (TPSA) of 50.1 Ų, 2-Cyano-2-ethylcyclohexyl acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyano-2-ethylcyclohexyl 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 2-Cyano-2-ethylcyclohexyl acetate?
The CAS number of 2-Cyano-2-ethylcyclohexyl acetate is 1331-45-9.
What is the molecular formula of 2-Cyano-2-ethylcyclohexyl acetate?
The molecular formula of 2-Cyano-2-ethylcyclohexyl acetate is C11H17NO2.
What is the molecular weight of 2-Cyano-2-ethylcyclohexyl acetate?
The molecular weight of 2-Cyano-2-ethylcyclohexyl acetate is 195.13 g/mol.
Where can I buy 2-Cyano-2-ethylcyclohexyl acetate?
You can request a quote for 2-Cyano-2-ethylcyclohexyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyano-2-ethylcyclohexyl acetate?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyano-2-ethylcyclohexyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.