![2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid structure](/static/products/1005/1005112-05-9.webp)
2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
TL;DR: 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 1005112-05-9) is a chemical compound with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-{[4-(2,3-dimethylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{[4-(2,3-dimethylphenyl)-1-piperazinyl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{[4-(2,3-DIMETHYLPHENYL)PIPERAZINO]CARBONYL}BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID, 3-{[4-(2,3-dimethylphenyl)piperazinyl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carb oxylic acid
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.47494 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 764.5197 |
Chemical Identifiers
| CAS Number | 1005112-05-9 |
|---|---|
| SMILES | CC1=C(C(=CC=C1)N2CCN(CC2)C(=O)C3C4CC(C3C(=O)O)C=C4)C |
Product Overview
2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid (CAS 1005112-05-9), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: 3-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
Property Insights of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
The XLogP value of 2.47494 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid. Following Lipinski's Rule of Five, 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-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 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The CAS number of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 1005112-05-9.
What is the molecular formula of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The molecular formula of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is C21H26N2O3.
What is the molecular weight of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
The molecular weight of 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid is 354.19 g/mol.
Where can I buy 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
You can request a quote for 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2,3-dimethylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.