Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate
TL;DR: Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate (CAS 51632-39-4) is a chemical compound with molecular formula C12H22O3 and molecular weight 214.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(1-hydroxycyclohexyl)butanoate
Also Known As: ethyl 2-(1-hydroxycyclohexyl)butanoate, Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate, Ethyl2-(1-hydroxycyclohexyl)butanoate, Ethyl a-ethyl-1-hydroxycyclohexaneacetate, 2-(1-Hydroxycyclohexyl)butanoic acid ethyl ester
| Molecular Formula | C12H22O3 |
|---|---|
| Molecular Weight | 214.16 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 214.15689 |
| Heavy Atoms | 15 |
| Complexity | 207.0 |
Chemical Identifiers
| CAS Number | 51632-39-4 |
|---|---|
| SMILES | CCC(C(=O)OCC)C1(CCCCC1)O |
| InChIKey | CPCOUDFALHSPMH-UHFFFAOYSA-N |
Product Overview
Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate (CAS 51632-39-4), with molecular formula C12H22O3 and molecular weight 214.16 g/mol. IUPAC: ethyl 2-(1-hydroxycyclohexyl)butanoate.
Chemical Property Profile of Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate
Property Insights of Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate. With a topological polar surface area (TPSA) of 46.5 Ų, Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate has 1 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 alpha-ethyl-1-hydroxycyclohexaneacetate?
The CAS number of Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate is 51632-39-4.
What is the molecular formula of Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate?
The molecular formula of Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate is C12H22O3.
What is the molecular weight of Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate?
The molecular weight of Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate is 214.16 g/mol.
Where can I buy Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate?
You can request a quote for Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl alpha-ethyl-1-hydroxycyclohexaneacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.