Ethyl cyclohexanoate
TL;DR: Ethyl cyclohexanoate (CAS 3289-28-9) is a chemical compound with molecular formula C9H16O2 and molecular weight 156.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl cyclohexanecarboxylate
Also Known As: Ethyl cyclohexanecarboxylate, ethyl cyclohexanoate, Ethyl hexahydrobenzoate, Ethyl cyclohexylformate, Ethoxycarbonylcyclohexane
| Molecular Formula | C9H16O2 |
|---|---|
| Molecular Weight | 156.12 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 156.11504 |
| Heavy Atoms | 11 |
| Complexity | 126.0 |
| Boiling Point | 82.00 °C. @ 12.00 mm Hg |
| Density | 0.966-0.978 (20°) |
| Solubility | Insoluble in water; soluble in fat |
| Refractive Index | 1.447-1.454 |
Chemical Identifiers
| CAS Number | 3289-28-9 |
|---|---|
| SMILES | CCOC(=O)C1CCCCC1 |
| InChIKey | JJOYCHKVKWDMEA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 17 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl cyclohexanoate (CAS 3289-28-9), with molecular formula C9H16O2 and molecular weight 156.12 g/mol. IUPAC: ethyl cyclohexanecarboxylate.
Chemical Property Profile of Ethyl cyclohexanoate
Property Insights of Ethyl cyclohexanoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl cyclohexanoate. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl cyclohexanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl cyclohexanoate has 0 hydrogen bond donor(s) and 2 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 cyclohexanoate?
The CAS number of Ethyl cyclohexanoate is 3289-28-9.
What is the molecular formula of Ethyl cyclohexanoate?
The molecular formula of Ethyl cyclohexanoate is C9H16O2.
What is the molecular weight of Ethyl cyclohexanoate?
The molecular weight of Ethyl cyclohexanoate is 156.12 g/mol.
Where can I buy Ethyl cyclohexanoate?
You can request a quote for Ethyl cyclohexanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyclohexanoate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyclohexanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.