5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid
TL;DR: 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid (CAS 168123-44-2) is a chemical compound with molecular formula C12H17N3O2 and molecular weight 235.13208 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-2-(4-methylpiperazin-1-yl)benzoic acid
Also Known As: 5-amino-2-(4-methylpiperazin-1-yl)benzoic acid, 5-Amino-2-(4-methyl-piperazin-1-yl)-benzoic acid, BAS 03424497, 5403AD, 5-amino-2-(4-methylpiperazinyl)benzoic acid
Technical Specifications
| Molecular Formula | C12H17N3O2 |
| Molecular Weight | 235.13208 g/mol |
| XLogP | -1.6 |
| Topological Polar Surface Area (TPSA) | 69.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 235.13208 Da |
| Heavy Atoms | 17 |
| Complexity | 277.0 |
| SMILES | CN1CCN(CC1)C2=C(C=C(C=C2)N)C(=O)O |
| InChIKey | CNKGIXMRFVHXAQ-UHFFFAOYSA-N |
Chemical Property Profile of 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid
Property Insights of 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid
The XLogP value of -1.6 indicates that 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 69.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid. Following Lipinski's Rule of Five, 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid has 2 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 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid?
The CAS number of 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid is 168123-44-2.
What is the molecular formula of 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid?
The molecular formula of 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid is C12H17N3O2.
What is the molecular weight of 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid?
The molecular weight of 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid is 235.13208 g/mol.
Where can I buy 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid?
You can request a quote for 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid?
Yes, CoreyChem provides custom synthesis services for 5-Amino-2-(4-methylpiperazin-1-yl)benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.