5-Amino-2-piperazin-1-ylbenzoic acid
TL;DR: 5-Amino-2-piperazin-1-ylbenzoic acid (CAS 168123-46-4) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.11642 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-amino-2-piperazin-1-ylbenzoic acid
Also Known As: 5-amino-2-piperazin-1-ylbenzoic acid, 5-amino-2-(piperazin-1-yl)benzoic acid, 5-amino-2-piperazin-1-yl-benzoic Acid, 5-AMINO-2-(1-PIPERAZINYL)BENZOIC ACID
Technical Specifications
| Molecular Formula | C11H15N3O2 |
| Molecular Weight | 221.11642 g/mol |
| XLogP | -2.0 |
| Topological Polar Surface Area (TPSA) | 78.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.11642 Da |
| Heavy Atoms | 16 |
| Complexity | 254.0 |
| SMILES | C1CN(CCN1)C2=C(C=C(C=C2)N)C(=O)O |
| InChIKey | YUYHNSIYKATXEU-UHFFFAOYSA-N |
Chemical Property Profile of 5-Amino-2-piperazin-1-ylbenzoic acid
Property Insights of 5-Amino-2-piperazin-1-ylbenzoic acid
The XLogP value of -2.0 indicates that 5-Amino-2-piperazin-1-ylbenzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 78.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Amino-2-piperazin-1-ylbenzoic acid. Following Lipinski's Rule of Five, 5-Amino-2-piperazin-1-ylbenzoic acid has 3 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-piperazin-1-ylbenzoic acid?
The CAS number of 5-Amino-2-piperazin-1-ylbenzoic acid is 168123-46-4.
What is the molecular formula of 5-Amino-2-piperazin-1-ylbenzoic acid?
The molecular formula of 5-Amino-2-piperazin-1-ylbenzoic acid is C11H15N3O2.
What is the molecular weight of 5-Amino-2-piperazin-1-ylbenzoic acid?
The molecular weight of 5-Amino-2-piperazin-1-ylbenzoic acid is 221.11642 g/mol.
Where can I buy 5-Amino-2-piperazin-1-ylbenzoic acid?
You can request a quote for 5-Amino-2-piperazin-1-ylbenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 5-Amino-2-piperazin-1-ylbenzoic acid?
Yes, CoreyChem provides custom synthesis services for 5-Amino-2-piperazin-1-ylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.