3-(4-acetylpiperazin-1-yl)benzoic Acid
TL;DR: 3-(4-acetylpiperazin-1-yl)benzoic Acid (CAS 896516-75-9) 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.
3-(4-acetylpiperazin-1-yl)benzoic acid
Also Known As: 3-(4-acetylpiperazin-1-yl)benzoic Acid, 3-(4-acetylpiperazinyl)benzoic acid, 2373AF, 3-(4-Acetyl-1-piperazinyl)benzoic acid
| Molecular Formula | C13H16N2O3 |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 1.0533 |
| Topological Polar Surface Area | 60.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.11609 |
| Heavy Atoms | 18 |
| Complexity | 465.05908 |
Chemical Identifiers
| CAS Number | 896516-75-9 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=CC=CC(=C2)C(=O)O |
Product Overview
3-(4-acetylpiperazin-1-yl)benzoic Acid (CAS 896516-75-9), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 3-(4-acetylpiperazin-1-yl)benzoic acid.
Chemical Property Profile of 3-(4-acetylpiperazin-1-yl)benzoic Acid
Property Insights of 3-(4-acetylpiperazin-1-yl)benzoic Acid
The XLogP value of 1.0533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(4-acetylpiperazin-1-yl)benzoic Acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(4-acetylpiperazin-1-yl)benzoic Acid. Following Lipinski's Rule of Five, 3-(4-acetylpiperazin-1-yl)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 3-(4-acetylpiperazin-1-yl)benzoic Acid?
The CAS number of 3-(4-acetylpiperazin-1-yl)benzoic Acid is 896516-75-9.
What is the molecular formula of 3-(4-acetylpiperazin-1-yl)benzoic Acid?
The molecular formula of 3-(4-acetylpiperazin-1-yl)benzoic Acid is C13H16N2O3.
What is the molecular weight of 3-(4-acetylpiperazin-1-yl)benzoic Acid?
The molecular weight of 3-(4-acetylpiperazin-1-yl)benzoic Acid is 248.12 g/mol.
Where can I buy 3-(4-acetylpiperazin-1-yl)benzoic Acid?
You can request a quote for 3-(4-acetylpiperazin-1-yl)benzoic Acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-acetylpiperazin-1-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-acetylpiperazin-1-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.