Ethyl 2-Cyclohexanonebutyrate
TL;DR: Ethyl 2-Cyclohexanonebutyrate (CAS 84751-60-0) is a chemical compound with molecular formula C12H20O3 and molecular weight 212.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(2-oxocyclohexyl)butanoate
Also Known As: Ethyl 2-Cyclohexanonebutyrate, ethyl 2-oxocyclohexanebutanoate, Ethyl 4-(2-oxocyclohexyl)butanoate, Ethyl 4-(2-oxocyclohexyl)butanoate #, 2-(3-carbethoxypropyl)cyclohexan-1-one
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 84751-60-0 |
|---|---|
| SMILES | CCOC(=O)CCCC1CCCCC1=O |
| InChIKey | DONLABSITAABEZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-Cyclohexanonebutyrate (CAS 84751-60-0), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: ethyl 4-(2-oxocyclohexyl)butanoate.
Chemical Property Profile of Ethyl 2-Cyclohexanonebutyrate
Property Insights of Ethyl 2-Cyclohexanonebutyrate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl 2-Cyclohexanonebutyrate. With a topological polar surface area (TPSA) of 43.4 Ų, Ethyl 2-Cyclohexanonebutyrate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-Cyclohexanonebutyrate 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-Cyclohexanonebutyrate?
The CAS number of Ethyl 2-Cyclohexanonebutyrate is 84751-60-0.
What is the molecular formula of Ethyl 2-Cyclohexanonebutyrate?
The molecular formula of Ethyl 2-Cyclohexanonebutyrate is C12H20O3.
What is the molecular weight of Ethyl 2-Cyclohexanonebutyrate?
The molecular weight of Ethyl 2-Cyclohexanonebutyrate is 212.14 g/mol.
Where can I buy Ethyl 2-Cyclohexanonebutyrate?
You can request a quote for Ethyl 2-Cyclohexanonebutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-Cyclohexanonebutyrate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-Cyclohexanonebutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.