![2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid structure](/static/products/294/294876-93-0.png)
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
TL;DR: 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid (CAS 294876-93-0) is a chemical compound with molecular formula C13H16N4O7 and molecular weight 340.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
Also Known As: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid, 2-[4-(2-hydroxyethyl)-1-piperazinyl]-3,5-bisnitrobenzoic acid, A1659/0070717, 2-[4-(2-hydroxyethyl)piperazinyl]-3,5-dinitrobenzoic acid
| Molecular Formula | C13H16N4O7 |
|---|---|
| Molecular Weight | 340.10 g/mol |
| LogP | 0.3155 |
| Topological Polar Surface Area | 150.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 340.1019 |
| Heavy Atoms | 24 |
| Complexity | 635.27924 |
Chemical Identifiers
| CAS Number | 294876-93-0 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2=C(C=C(C=C2[N+](=O)[O-])[N+](=O)[O-])C(=O)O |
Product Overview
2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid (CAS 294876-93-0), with molecular formula C13H16N4O7 and molecular weight 340.10 g/mol. IUPAC: 2-[4-(2-hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid.
Chemical Property Profile of 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
Property Insights of 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid
The XLogP value of 0.3155 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid. The TPSA of 150.29 Ų indicates high polarity, suggesting 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic 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-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid?
The CAS number of 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid is 294876-93-0.
What is the molecular formula of 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid?
The molecular formula of 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid is C13H16N4O7.
What is the molecular weight of 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid?
The molecular weight of 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid is 340.10 g/mol.
Where can I buy 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid?
You can request a quote for 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic 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-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(2-Hydroxyethyl)piperazin-1-yl]-3,5-dinitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.