4-(4-acetylpiperazin-1-yl)benzoic Acid
TL;DR: 4-(4-acetylpiperazin-1-yl)benzoic Acid (CAS 104082-20-4) 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.
4-(4-acetylpiperazin-1-yl)benzoic acid
Also Known As: 4-(4-acetylpiperazin-1-yl)benzoic Acid, 4-(4-acetylpiperazinyl)benzoic acid, 7942AC, Benzoic acid, 4-(4-acetyl-1-piperazinyl)-, F1929-0812
| 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 | 447.80908 |
Chemical Identifiers
| CAS Number | 104082-20-4 |
|---|---|
| SMILES | CC(=O)N1CCN(CC1)C2=CC=C(C=C2)C(=O)O |
Product Overview
4-(4-acetylpiperazin-1-yl)benzoic Acid (CAS 104082-20-4), with molecular formula C13H16N2O3 and molecular weight 248.12 g/mol. IUPAC: 4-(4-acetylpiperazin-1-yl)benzoic acid.
Chemical Property Profile of 4-(4-acetylpiperazin-1-yl)benzoic Acid
Property Insights of 4-(4-acetylpiperazin-1-yl)benzoic Acid
The XLogP value of 1.0533 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-acetylpiperazin-1-yl)benzoic Acid. The TPSA of 60.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-acetylpiperazin-1-yl)benzoic Acid. Following Lipinski's Rule of Five, 4-(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 4-(4-acetylpiperazin-1-yl)benzoic Acid?
The CAS number of 4-(4-acetylpiperazin-1-yl)benzoic Acid is 104082-20-4.
What is the molecular formula of 4-(4-acetylpiperazin-1-yl)benzoic Acid?
The molecular formula of 4-(4-acetylpiperazin-1-yl)benzoic Acid is C13H16N2O3.
What is the molecular weight of 4-(4-acetylpiperazin-1-yl)benzoic Acid?
The molecular weight of 4-(4-acetylpiperazin-1-yl)benzoic Acid is 248.12 g/mol.
Where can I buy 4-(4-acetylpiperazin-1-yl)benzoic Acid?
You can request a quote for 4-(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 4-(4-acetylpiperazin-1-yl)benzoic Acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(4-acetylpiperazin-1-yl)benzoic Acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.