2-(4-Methylpiperazine-1-carbonyl)benzoic acid
TL;DR: 2-(4-Methylpiperazine-1-carbonyl)benzoic acid (CAS 20320-46-1) is a chemical compound with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-methylpiperazine-1-carbonyl)benzoic acid
Also Known As: 2-(4-methylpiperazine-1-carbonyl)benzoic acid, 2-[(4-methylpiperazin-1-yl)carbonyl]benzoic acid, 2-[ CARBONYL]BENZOICACID, 2-(4-Methyl-piperazine-1-carbonyl)-benzoic acid, SDCCGMLS-0064667.P001
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | -2.4 |
| Topological Polar Surface Area | 60.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 20320-46-1 |
|---|---|
| SMILES | CN1CCN(CC1)C(=O)C2=CC=CC=C2C(=O)O |
| InChIKey | ZAFOSGZICIJIGO-UHFFFAOYSA-N |
Product Overview
2-(4-Methylpiperazine-1-carbonyl)benzoic acid (CAS 20320-46-1), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 2-(4-methylpiperazine-1-carbonyl)benzoic acid.
Chemical Property Profile of 2-(4-Methylpiperazine-1-carbonyl)benzoic acid
Property Insights of 2-(4-Methylpiperazine-1-carbonyl)benzoic acid
The XLogP value of -2.4 indicates that 2-(4-Methylpiperazine-1-carbonyl)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 60.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Methylpiperazine-1-carbonyl)benzoic acid. Following Lipinski's Rule of Five, 2-(4-Methylpiperazine-1-carbonyl)benzoic acid has 1 hydrogen bond donor(s) and 4 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-Methylpiperazine-1-carbonyl)benzoic acid?
The CAS number of 2-(4-Methylpiperazine-1-carbonyl)benzoic acid is 20320-46-1.
What is the molecular formula of 2-(4-Methylpiperazine-1-carbonyl)benzoic acid?
The molecular formula of 2-(4-Methylpiperazine-1-carbonyl)benzoic acid is C13H16N2O3.
What is the molecular weight of 2-(4-Methylpiperazine-1-carbonyl)benzoic acid?
The molecular weight of 2-(4-Methylpiperazine-1-carbonyl)benzoic acid is 248.12 g/mol.
Where can I buy 2-(4-Methylpiperazine-1-carbonyl)benzoic acid?
You can request a quote for 2-(4-Methylpiperazine-1-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-Methylpiperazine-1-carbonyl)benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Methylpiperazine-1-carbonyl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.