Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate
TL;DR: Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate (CAS 52186-03-5) is a chemical compound with molecular formula C19H26O3 and molecular weight 302.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-oxo-1-(2-phenylethyl)cyclooctane-1-carboxylate
Also Known As: 2-Carbethoxy-2- cyclooctanone, Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate, 2-Carbethoxy-2-(beta-phenylethyl)cyclooctanone, ethyl 2-oxo-1-phenethylcyclooctane-1-carboxylate, ethyl 2-oxo-1-(2-phenylethyl)cyclooctane-1-carboxylate
| Molecular Formula | C19H26O3 |
|---|---|
| Molecular Weight | 302.19 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.1882 |
| Heavy Atoms | 22 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 52186-03-5 |
|---|---|
| SMILES | CCOC(=O)C1(CCCCCCC1=O)CCC2=CC=CC=C2 |
| InChIKey | LFHWQJCOAQWRSZ-UHFFFAOYSA-N |
Product Overview
Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate (CAS 52186-03-5), with molecular formula C19H26O3 and molecular weight 302.19 g/mol. IUPAC: ethyl 2-oxo-1-(2-phenylethyl)cyclooctane-1-carboxylate.
Chemical Property Profile of Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate
Property Insights of Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate
The XLogP value of 4.6 indicates that Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate 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-oxo-1-(2-phenylethyl)cyclooctanecarboxylate?
The CAS number of Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate is 52186-03-5.
What is the molecular formula of Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate?
The molecular formula of Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate is C19H26O3.
What is the molecular weight of Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate?
The molecular weight of Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate is 302.19 g/mol.
Where can I buy Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate?
You can request a quote for Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxo-1-(2-phenylethyl)cyclooctanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.