Ethyl cyclohexylacetate
TL;DR: Ethyl cyclohexylacetate (CAS 5452-75-5) is a chemical compound with molecular formula C10H18O2 and molecular weight 170.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyclohexylacetate
Also Known As: Ethyl cyclohexylacetate, ethyl 2-cyclohexylacetate, Ethyl cyclohexaneacetate, ethyl-2-cyclohexylacetate, ethyl cyclohexyl acetate
| Molecular Formula | C10H18O2 |
|---|---|
| Molecular Weight | 170.13 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 170.13068 |
| Heavy Atoms | 12 |
| Complexity | 137.0 |
Chemical Identifiers
| CAS Number | 5452-75-5 |
|---|---|
| SMILES | CCOC(=O)CC1CCCCC1 |
| InChIKey | ZBDAMDWKXGTKBT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl cyclohexylacetate (CAS 5452-75-5), with molecular formula C10H18O2 and molecular weight 170.13 g/mol. IUPAC: ethyl 2-cyclohexylacetate.
Chemical Property Profile of Ethyl cyclohexylacetate
Property Insights of Ethyl cyclohexylacetate
The XLogP value of 3.2 indicates that Ethyl cyclohexylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Ethyl cyclohexylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl cyclohexylacetate 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 cyclohexylacetate?
The CAS number of Ethyl cyclohexylacetate is 5452-75-5.
What is the molecular formula of Ethyl cyclohexylacetate?
The molecular formula of Ethyl cyclohexylacetate is C10H18O2.
What is the molecular weight of Ethyl cyclohexylacetate?
The molecular weight of Ethyl cyclohexylacetate is 170.13 g/mol.
Where can I buy Ethyl cyclohexylacetate?
You can request a quote for Ethyl cyclohexylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyclohexylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyclohexylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.