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Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester
TL;DR: Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester (CAS 35377-06-1) is a chemical compound with molecular formula C11H18O2 and molecular weight 182.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl bicyclo[2.2.2]octane-2-carboxylate
Also Known As: ethyl bicyclo[2.2.2]octane-2-carboxylate, Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester, ethyl bicyclo[2.2.2]octane-3-carboxylate, BICYCLO[2.2.2]OCTANE-2-CARBOXYLIC ACID ETHYL ESTER, Endo-aethylen-cyclohexancarbonsaeure-aethylester
| Molecular Formula | C11H18O2 |
|---|---|
| Molecular Weight | 182.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 182.13068 |
| Heavy Atoms | 13 |
| Complexity | 192.0 |
Chemical Identifiers
| CAS Number | 35377-06-1 |
|---|---|
| SMILES | CCOC(=O)C1CC2CCC1CC2 |
| InChIKey | NSSSSLKQIAIXNW-UHFFFAOYSA-N |
Product Overview
Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester (CAS 35377-06-1), with molecular formula C11H18O2 and molecular weight 182.13 g/mol. IUPAC: ethyl bicyclo[2.2.2]octane-2-carboxylate.
Chemical Property Profile of Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester
Property Insights of Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester
The XLogP value of 3.0 indicates that Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester has 0 hydrogen bond donor(s) and 2 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 Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester?
The CAS number of Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester is 35377-06-1.
What is the molecular formula of Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester?
The molecular formula of Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester is C11H18O2.
What is the molecular weight of Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester?
The molecular weight of Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester is 182.13 g/mol.
Where can I buy Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester?
You can request a quote for Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Bicyclo[2.2.2]octane-2-carboxylic acid, ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.