![2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid structure](/static/products/3374/337476-60-5.webp)
2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid
TL;DR: 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid (CAS 337476-60-5) is a chemical compound with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoic acid
Also Known As: 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoic Acid, 2-{[4-(4-nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid, 2-(4-(4-nitrophenyl)piperazine-1-carbonyl)benzoic acid, 2-{[4-(4-nitrophenyl)piperazinyl]carbonyl}benzoic acid, 2-[(4-{4-nitrophenyl}-1-piperazinyl)carbonyl]benzoic acid
| Molecular Formula | C18H17N3O5 |
|---|---|
| Molecular Weight | 355.12 g/mol |
| LogP | 2.2554 |
| Topological Polar Surface Area | 103.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.11682 |
| Heavy Atoms | 26 |
| Complexity | 842.16 |
Chemical Identifiers
| CAS Number | 337476-60-5 |
|---|---|
| SMILES | C1CN(CCN1C2=CC=C(C=C2)[N+](=O)[O-])C(=O)C3=CC=CC=C3C(=O)O |
Product Overview
2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid (CAS 337476-60-5), with molecular formula C18H17N3O5 and molecular weight 355.12 g/mol. IUPAC: 2-[4-(4-nitrophenyl)piperazine-1-carbonyl]benzoic acid.
Chemical Property Profile of 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid
Property Insights of 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid
The XLogP value of 2.2554 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid. The TPSA of 103.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid. Following Lipinski's Rule of Five, 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid has 1 hydrogen bond donor(s) and 5 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 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid?
The CAS number of 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid is 337476-60-5.
What is the molecular formula of 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid?
The molecular formula of 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid is C18H17N3O5.
What is the molecular weight of 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid?
The molecular weight of 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid is 355.12 g/mol.
Where can I buy 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid?
You can request a quote for 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-Nitrophenyl)piperazin-1-yl]carbonyl}benzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.