4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid
TL;DR: 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid (CAS 309943-00-8) is a chemical compound with molecular formula C13H15N3O5 and molecular weight 293.10117 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-(4-acetylpiperazin-1-yl)-3-nitrobenzoic acid
Also Known As: 4-(4-acetylpiperazin-1-yl)-3-nitrobenzoic acid, 4-(4-acetylpiperazin-1-yl)-3-nitro-benzoic Acid, 4-(4-Acetyl-1-piperazinyl)-3-nitrobenzoic Acid, G76241
Technical Specifications
| Molecular Formula | C13H15N3O5 |
| Molecular Weight | 293.10117 g/mol |
| XLogP | 0.7 |
| Topological Polar Surface Area (TPSA) | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 2 |
| Exact Mass | 293.10117 Da |
| Heavy Atoms | 21 |
| Complexity | 428.0 |
| SMILES | CC(=O)N1CCN(CC1)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
| InChIKey | MAVOKEBVUFLMCU-UHFFFAOYSA-N |
Chemical Property Profile of 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid
Property Insights of 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid?
The CAS number of 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid is 309943-00-8.
What is the molecular formula of 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid?
The molecular formula of 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid is C13H15N3O5.
What is the molecular weight of 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid?
The molecular weight of 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid is 293.10117 g/mol.
Where can I buy 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid?
You can request a quote for 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid?
Yes, CoreyChem provides custom synthesis services for 4-(4-Acetylpiperazin-1-yl)-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.