![4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid structure](/static/products/3048/3048-85-9.webp)
4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid
TL;DR: 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid (CAS 3048-85-9) is a chemical compound with molecular formula C13H18O6 and molecular weight 270.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid
Also Known As: 4-ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid, 1-(ethoxycarbonyl)bicyclo[2.2.2]octane-2,3-dicarboxylic acid, BICYCLO[2.2.2]OCTANE-1,2,3-TRICARBOXYLICACID, 1-ETHYL ESTER
| Molecular Formula | C13H18O6 |
|---|---|
| Molecular Weight | 270.11 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 270.11035 |
| Heavy Atoms | 19 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 3048-85-9 |
|---|---|
| SMILES | CCOC(=O)C12CCC(CC1)C(C2C(=O)O)C(=O)O |
| InChIKey | LNKVTTIJTSPNEX-UHFFFAOYSA-N |
Product Overview
4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid (CAS 3048-85-9), with molecular formula C13H18O6 and molecular weight 270.11 g/mol. IUPAC: 1-ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid.
Chemical Property Profile of 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid
Property Insights of 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid. Following Lipinski's Rule of Five, 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid has 2 hydrogen bond donor(s) and 6 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-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid?
The CAS number of 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid is 3048-85-9.
What is the molecular formula of 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid?
The molecular formula of 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid is C13H18O6.
What is the molecular weight of 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid?
The molecular weight of 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid is 270.11 g/mol.
Where can I buy 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid?
You can request a quote for 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-Ethoxycarbonylbicyclo[2.2.2]octane-2,3-dicarboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.