Ethyl 2-oxocyclononanecarboxylate
TL;DR: Ethyl 2-oxocyclononanecarboxylate (CAS 4017-57-6) 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 2-oxocyclononane-1-carboxylate
Also Known As: Ethyl 2-oxocyclononanecarboxylate, ethyl 2-oxocyclononane-1-carboxylate, 2-carboethoxycyclononanone, 2-ethoxycarbonyl-cyclononanone, ethyl2-oxocyclononanecarboxylate
| Molecular Formula | C12H20O3 |
|---|---|
| Molecular Weight | 212.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 212.14125 |
| Heavy Atoms | 15 |
| Complexity | 223.0 |
Chemical Identifiers
| CAS Number | 4017-57-6 |
|---|---|
| SMILES | CCOC(=O)C1CCCCCCCC1=O |
| InChIKey | ZNYACCYOKFCOOU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl 2-oxocyclononanecarboxylate (CAS 4017-57-6), with molecular formula C12H20O3 and molecular weight 212.14 g/mol. IUPAC: ethyl 2-oxocyclononane-1-carboxylate.
Chemical Property Profile of Ethyl 2-oxocyclononanecarboxylate
Property Insights of Ethyl 2-oxocyclononanecarboxylate
The XLogP value of 3.0 indicates that Ethyl 2-oxocyclononanecarboxylate 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-oxocyclononanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl 2-oxocyclononanecarboxylate 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-oxocyclononanecarboxylate?
The CAS number of Ethyl 2-oxocyclononanecarboxylate is 4017-57-6.
What is the molecular formula of Ethyl 2-oxocyclononanecarboxylate?
The molecular formula of Ethyl 2-oxocyclononanecarboxylate is C12H20O3.
What is the molecular weight of Ethyl 2-oxocyclononanecarboxylate?
The molecular weight of Ethyl 2-oxocyclononanecarboxylate is 212.14 g/mol.
Where can I buy Ethyl 2-oxocyclononanecarboxylate?
You can request a quote for Ethyl 2-oxocyclononanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl 2-oxocyclononanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl 2-oxocyclononanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.