Ethyl cyclohexyl-3-thienylacetate
TL;DR: Ethyl cyclohexyl-3-thienylacetate (CAS 51536-25-5) is a chemical compound with molecular formula C14H20O2S and molecular weight 252.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-cyclohexyl-2-thiophen-3-ylacetate
Also Known As: Ethyl cyclohexyl-3-thienylacetate, ethyl cyclohexyl(3-thienyl)acetate, ethyl 2-cyclohexyl-2-thiophen-3-ylacetate, Ethyl cyclohexyl(thiophen-3-yl)acetate, 3-Thiopheneacetic acid,a-cyclohexyl-, ethyl ester
| Molecular Formula | C14H20O2S |
|---|---|
| Molecular Weight | 252.12 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 54.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 252.11841 |
| Heavy Atoms | 17 |
| Complexity | 249.0 |
Chemical Identifiers
| CAS Number | 51536-25-5 |
|---|---|
| SMILES | CCOC(=O)C(C1CCCCC1)C2=CSC=C2 |
| InChIKey | HPSGRCMLHWDBKJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl cyclohexyl-3-thienylacetate (CAS 51536-25-5), with molecular formula C14H20O2S and molecular weight 252.12 g/mol. IUPAC: ethyl 2-cyclohexyl-2-thiophen-3-ylacetate.
Chemical Property Profile of Ethyl cyclohexyl-3-thienylacetate
Property Insights of Ethyl cyclohexyl-3-thienylacetate
The XLogP value of 4.5 indicates that Ethyl cyclohexyl-3-thienylacetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.5 Ų, Ethyl cyclohexyl-3-thienylacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl cyclohexyl-3-thienylacetate 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 cyclohexyl-3-thienylacetate?
The CAS number of Ethyl cyclohexyl-3-thienylacetate is 51536-25-5.
What is the molecular formula of Ethyl cyclohexyl-3-thienylacetate?
The molecular formula of Ethyl cyclohexyl-3-thienylacetate is C14H20O2S.
What is the molecular weight of Ethyl cyclohexyl-3-thienylacetate?
The molecular weight of Ethyl cyclohexyl-3-thienylacetate is 252.12 g/mol.
Where can I buy Ethyl cyclohexyl-3-thienylacetate?
You can request a quote for Ethyl cyclohexyl-3-thienylacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl cyclohexyl-3-thienylacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl cyclohexyl-3-thienylacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.