![3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/100/1005153-76-3.png)
3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005153-76-3) 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-methylphenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(4-(2-methylbenzyl)piperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-({4-[(2-methylphenyl)methyl]piperazinyl}carbonyl)bicyclo[2.2.1]hept-5-ene-2- carboxylic acid, 3-{[4-(2-METHYLBENZYL)PIPERAZINO]CARBONYL}BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
| Molecular Formula | C21H26N2O3 |
|---|---|
| Molecular Weight | 354.19 g/mol |
| LogP | 2.16212 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 354.19434 |
| Heavy Atoms | 26 |
| Complexity | 736.5267 |
Chemical Identifiers
| CAS Number | 1005153-76-3 |
|---|---|
| SMILES | CC1=CC=CC=C1CN2CCN(CC2)C(=O)C3C4CC(C3C(=O)O)C=C4 |
Product Overview
3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005153-76-3), with molecular formula C21H26N2O3 and molecular weight 354.19 g/mol. IUPAC: 3-[4-[(2-methylphenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 2.16212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-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-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005153-76-3.
What is the molecular formula of 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C21H26N2O3.
What is the molecular weight of 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 354.19 g/mol.
Where can I buy 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-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-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(2-methylbenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.