![2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid structure](/static/products/904/904817-86-3.png)
2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid
TL;DR: 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid (CAS 904817-86-3) is a chemical compound with molecular formula C18H16N4O8 and molecular weight 416.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid
Also Known As: 2-[4-(2-carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid, 1,4-Bis(2-carboxy-6-nitro-fenil)piperazine, 2,2'-(Piperazine-1,4-diyl)bis(3-nitrobenzoic acid), 2,2'-(Piperazine-1,4-diyl)bis(3-nitrobenzoicacid), 2-[4-(2-carboxy-6-nitro-phenyl)piperazin-1-yl]-3-nitro-benzoic Acid
| Molecular Formula | C18H16N4O8 |
|---|---|
| Molecular Weight | 416.10 g/mol |
| LogP | 2.226 |
| Topological Polar Surface Area | 167.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 416.0968 |
| Heavy Atoms | 30 |
| Complexity | 898.47705 |
Chemical Identifiers
| CAS Number | 904817-86-3 |
|---|---|
| SMILES | C1CN(CCN1C2=C(C=CC=C2[N+](=O)[O-])C(=O)O)C3=C(C=CC=C3[N+](=O)[O-])C(=O)O |
Product Overview
2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid (CAS 904817-86-3), with molecular formula C18H16N4O8 and molecular weight 416.10 g/mol. IUPAC: 2-[4-(2-carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid.
Chemical Property Profile of 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid
Property Insights of 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid
The XLogP value of 2.226 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid. The TPSA of 167.36 Ų indicates high polarity, suggesting 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid has 2 hydrogen bond donor(s) and 8 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-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid?
The CAS number of 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid is 904817-86-3.
What is the molecular formula of 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid?
The molecular formula of 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid is C18H16N4O8.
What is the molecular weight of 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid?
The molecular weight of 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid is 416.10 g/mol.
Where can I buy 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid?
You can request a quote for 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic 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-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2-Carboxy-6-nitrophenyl)piperazin-1-yl]-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.