![4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid structure](/static/products/834/834-50-4.png)
4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid
TL;DR: 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid (CAS 834-50-4) is a chemical compound with molecular formula C12H18O4 and molecular weight 226.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-ethoxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid
Also Known As: 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid, 4-ethoxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid, 4-(Ethoxycarbonyl)bicyclo-[2.2.2]octane-1-carboxylic acid, AE-848/32610058, Bicyclo[2.2.2]octane-1,4-dicarboxylic acid, Monoethyl ester
| Molecular Formula | C12H18O4 |
|---|---|
| Molecular Weight | 226.12 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 226.12051 |
| Heavy Atoms | 16 |
| Complexity | 296.0 |
Chemical Identifiers
| CAS Number | 834-50-4 |
|---|---|
| SMILES | CCOC(=O)C12CCC(CC1)(CC2)C(=O)O |
| InChIKey | AKCJDZLLWVXNFU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid (CAS 834-50-4), with molecular formula C12H18O4 and molecular weight 226.12 g/mol. IUPAC: 4-ethoxycarbonylbicyclo[2.2.2]octane-1-carboxylic acid.
Chemical Property Profile of 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid
Property Insights of 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid. Following Lipinski's Rule of Five, 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid has 1 hydrogen bond donor(s) and 4 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 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid?
The CAS number of 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid is 834-50-4.
What is the molecular formula of 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid?
The molecular formula of 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid is C12H18O4.
What is the molecular weight of 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid?
The molecular weight of 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid is 226.12 g/mol.
Where can I buy 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid?
You can request a quote for 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Ethoxycarbonyl)bicyclo[2.2.2]octane-1-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.