![3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/4740/474002-27-2.webp)
3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 474002-27-2) is a chemical compound with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-benzylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: BAS 03840727, 2-(4-benzylpiperazin-4-ium-1-carbonyl)bicyclo[2.2.1]hept-5-ene-3-carboxylate, 3-[(4-benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-[[4-(phenylmethyl)-1-piperazinyl]carbonyl]-, 2-(4-benzylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-3-carboxylic acid
| Molecular Formula | C20H24N2O3 |
|---|---|
| Molecular Weight | 340.18 g/mol |
| LogP | 1.8537 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 340.17868 |
| Heavy Atoms | 25 |
| Complexity | 679.4415 |
Chemical Identifiers
| CAS Number | 474002-27-2 |
|---|---|
| SMILES | C1CN(CCN1CC2=CC=CC=C2)C(=O)C3C4CC(C3C(=O)O)C=C4 |
Product Overview
3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 474002-27-2), with molecular formula C20H24N2O3 and molecular weight 340.18 g/mol. IUPAC: 3-(4-benzylpiperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 1.8537 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-[(4-Benzylpiperazin-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-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-[(4-Benzylpiperazin-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-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 474002-27-2.
What is the molecular formula of 3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C20H24N2O3.
What is the molecular weight of 3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 340.18 g/mol.
Where can I buy 3-[(4-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-[(4-Benzylpiperazin-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-Benzylpiperazin-1-yl)carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-[(4-Benzylpiperazin-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.