![3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid structure](/static/products/904/904793-89-1.png)
3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
TL;DR: 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid (CAS 904793-89-1) is a chemical compound with molecular formula C20H25FN2O3 and molecular weight 360.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid
Also Known As: 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid, 2-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-3-carboxylic acid, 3-(4-(4-fluorophenyl)piperazine-1-carbonyl)bicyclo[2.2.2]octane-2-carboxylic acid, 3-{[4-(4-FLUOROPHENYL)PIPERAZINO]CARBONYL}BICYCLO[2.2.2]OCTANE-2-CARBOXYLIC ACID, 3-{[4-(4-fluorophenyl)piperazinyl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic a cid
| Molecular Formula | C20H25FN2O3 |
|---|---|
| Molecular Weight | 360.18 g/mol |
| LogP | 2.6113 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 360.1849 |
| Heavy Atoms | 26 |
| Complexity | 676.80164 |
Chemical Identifiers
| CAS Number | 904793-89-1 |
|---|---|
| SMILES | C1CC2CCC1C(C2C(=O)O)C(=O)N3CCN(CC3)C4=CC=C(C=C4)F |
Product Overview
3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid (CAS 904793-89-1), with molecular formula C20H25FN2O3 and molecular weight 360.18 g/mol. IUPAC: 3-[4-(4-fluorophenyl)piperazine-1-carbonyl]bicyclo[2.2.2]octane-2-carboxylic acid.
Chemical Property Profile of 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
Property Insights of 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid
The XLogP value of 2.6113 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid 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 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid?
The CAS number of 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid is 904793-89-1.
What is the molecular formula of 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid?
The molecular formula of 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid is C20H25FN2O3.
What is the molecular weight of 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid?
The molecular weight of 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid is 360.18 g/mol.
Where can I buy 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid?
You can request a quote for 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(4-fluorophenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.2]octane-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.