3-Amino-2-piperazin-1-ylbenzoic acid
TL;DR: 3-Amino-2-piperazin-1-ylbenzoic acid (CAS 394655-10-8) is a chemical compound with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-2-piperazin-1-ylbenzoic acid
Also Known As: 3-amino-2-piperazin-1-ylbenzoic acid, 3-amino-2-(piperazin-1-yl)benzoic acid, Benzoic acid,3-amino-2-(1-piperazinyl)-, 3-amino-2-piperazin-1-yl-benzoic Acid, 3-AMINO-2-PIPERAZIN-1-YLBENZOICACID
| Molecular Formula | C11H15N3O2 |
|---|---|
| Molecular Weight | 221.12 g/mol |
| LogP | 0.3766 |
| Topological Polar Surface Area | 78.59 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 221.11642 |
| Heavy Atoms | 16 |
| Complexity | 400.2162 |
Chemical Identifiers
| CAS Number | 394655-10-8 |
|---|---|
| SMILES | C1CN(CCN1)C2=C(C=CC=C2N)C(=O)O |
Product Overview
3-Amino-2-piperazin-1-ylbenzoic acid (CAS 394655-10-8), with molecular formula C11H15N3O2 and molecular weight 221.12 g/mol. IUPAC: 3-amino-2-piperazin-1-ylbenzoic acid.
Chemical Property Profile of 3-Amino-2-piperazin-1-ylbenzoic acid
Property Insights of 3-Amino-2-piperazin-1-ylbenzoic acid
The XLogP value of 0.3766 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-2-piperazin-1-ylbenzoic acid. The TPSA of 78.59 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-2-piperazin-1-ylbenzoic acid. Following Lipinski's Rule of Five, 3-Amino-2-piperazin-1-ylbenzoic acid has 3 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 3-Amino-2-piperazin-1-ylbenzoic acid?
The CAS number of 3-Amino-2-piperazin-1-ylbenzoic acid is 394655-10-8.
What is the molecular formula of 3-Amino-2-piperazin-1-ylbenzoic acid?
The molecular formula of 3-Amino-2-piperazin-1-ylbenzoic acid is C11H15N3O2.
What is the molecular weight of 3-Amino-2-piperazin-1-ylbenzoic acid?
The molecular weight of 3-Amino-2-piperazin-1-ylbenzoic acid is 221.12 g/mol.
Where can I buy 3-Amino-2-piperazin-1-ylbenzoic acid?
You can request a quote for 3-Amino-2-piperazin-1-ylbenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-2-piperazin-1-ylbenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-2-piperazin-1-ylbenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.