![2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid structure](/static/products/725/72547-59-2.png)
2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid
TL;DR: 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid (CAS 72547-59-2) is a chemical compound with molecular formula C19H20N2O3 and molecular weight 324.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-methylphenyl)piperazine-1-carbonyl]benzoic acid
Also Known As: AQ-360/40003780, 2-{[4-(2-methylphenyl)piperazin-1-yl]carbonyl}benzoic acid, 2-[4-(2-methylphenyl)piperazine-1-carbonyl]benzoic acid
| Molecular Formula | C19H20N2O3 |
|---|---|
| Molecular Weight | 324.15 g/mol |
| LogP | 2.65562 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 324.1474 |
| Heavy Atoms | 24 |
| Complexity | 764.71216 |
Chemical Identifiers
| CAS Number | 72547-59-2 |
|---|---|
| SMILES | CC1=CC=CC=C1N2CCN(CC2)C(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid (CAS 72547-59-2), with molecular formula C19H20N2O3 and molecular weight 324.15 g/mol. IUPAC: 2-[4-(2-methylphenyl)piperazine-1-carbonyl]benzoic acid.
Chemical Property Profile of 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid
Property Insights of 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid
The XLogP value of 2.65562 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic 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-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid?
The CAS number of 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid is 72547-59-2.
What is the molecular formula of 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid?
The molecular formula of 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid is C19H20N2O3.
What is the molecular weight of 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid?
The molecular weight of 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid is 324.15 g/mol.
Where can I buy 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid?
You can request a quote for 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic 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-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(2-Methylphenyl)piperazin-1-yl]carbonyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.