![3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/100/1005246-35-4.webp)
3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005246-35-4) is a chemical compound with molecular formula C21H26N2O4 and molecular weight 370.18927 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-(4-(3-methoxybenzyl)piperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[4-[(3-methoxyphenyl)methyl]piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-({4-[(3-methoxyphenyl)methyl]piperazinyl}carbonyl)bicyclo[2.2.1]hept-5-ene-2 -carboxylic acid, 3-{[4-(3-METHOXYBENZYL)PIPERAZINO]CARBONYL}BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID
Technical Specifications
| Molecular Formula | C21H26N2O4 |
| Molecular Weight | 370.18927 g/mol |
| XLogP | -0.7 |
| Topological Polar Surface Area (TPSA) | 70.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.18927 Da |
| Heavy Atoms | 27 |
| Complexity | 599.0 |
| SMILES | COC1=CC=CC(=C1)CN2CCN(CC2)C(=O)C3C4CC(C3C(=O)O)C=C4 |
| InChIKey | QPWGHFYPCHTRPZ-UHFFFAOYSA-N |
Chemical Property Profile of 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of -0.7 indicates that 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 70.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005246-35-4.
What is the molecular formula of 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C21H26N2O4.
What is the molecular weight of 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 370.18927 g/mol.
Where can I buy 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 3-{[4-(3-methoxybenzyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, CoreyChem provides custom synthesis services for 3-{[4-(3-methoxybenzyl)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.