![3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid structure](/static/products/100/1005153-98-9.png)
3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
TL;DR: 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005153-98-9) is a chemical compound with molecular formula C20H23ClN2O3 and molecular weight 374.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Also Known As: 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-3-carboxylic acid, 3-(4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl)bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 3-{[4-(5-CHLORO-2-METHYLPHENYL)PIPERAZINO]CARBONYL}BICYCLO[2.2.1]HEPT-5-ENE-2-CARBOXYLIC ACID, 6-[4-(5-chloro-2-methyl-phenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-2-ene-5-carboxylic Acid
| Molecular Formula | C20H23ClN2O3 |
|---|---|
| Molecular Weight | 374.14 g/mol |
| LogP | 2.81992 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 374.1397 |
| Heavy Atoms | 26 |
| Complexity | 770.3198 |
Chemical Identifiers
| CAS Number | 1005153-98-9 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)Cl)N2CCN(CC2)C(=O)C3C4CC(C3C(=O)O)C=C4 |
Product Overview
3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid (CAS 1005153-98-9), with molecular formula C20H23ClN2O3 and molecular weight 374.14 g/mol. IUPAC: 3-[4-(5-chloro-2-methylphenyl)piperazine-1-carbonyl]bicyclo[2.2.1]hept-5-ene-2-carboxylic acid.
Chemical Property Profile of 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
Property Insights of 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid
The XLogP value of 2.81992 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-{[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid. Following Lipinski's Rule of Five, 3-{[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The CAS number of 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 1005153-98-9.
What is the molecular formula of 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular formula of 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is C20H23ClN2O3.
What is the molecular weight of 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
The molecular weight of 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid is 374.14 g/mol.
Where can I buy 3-{[4-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
You can request a quote for 3-{[4-(5-chloro-2-methylphenyl)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-(5-chloro-2-methylphenyl)piperazin-1-yl]carbonyl}bicyclo[2.2.1]hept-5-ene-2-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-{[4-(5-chloro-2-methylphenyl)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.