![4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid structure](/static/products/3373/337312-07-9.webp)
4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid
TL;DR: 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid (CAS 337312-07-9) is a chemical compound with molecular formula C13H17N3O5 and molecular weight 295.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrobenzoic acid
Also Known As: 4-[4-(2-HYDROXYETHYL)-1-PIPERAZINYL]-3-NITROBENZOIC ACID, 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrobenzoic acid, 4-(4-(2-Hydroxyethyl)piperazin-1-yl)-3-nitrobenzoic acid, 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitro-benzoic Acid, Benzoic acid, 4-[4-(2-hydroxyethyl)-1-piperazinyl]-3-nitro-
| Molecular Formula | C13H17N3O5 |
|---|---|
| Molecular Weight | 295.12 g/mol |
| LogP | 0.4073 |
| Topological Polar Surface Area | 107.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 295.11682 |
| Heavy Atoms | 21 |
| Complexity | 540.60834 |
Chemical Identifiers
| CAS Number | 337312-07-9 |
|---|---|
| SMILES | C1CN(CCN1CCO)C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-] |
Product Overview
4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid (CAS 337312-07-9), with molecular formula C13H17N3O5 and molecular weight 295.12 g/mol. IUPAC: 4-[4-(2-hydroxyethyl)piperazin-1-yl]-3-nitrobenzoic acid.
Chemical Property Profile of 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid
Property Insights of 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid
The XLogP value of 0.4073 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid. The TPSA of 107.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid has 2 hydrogen bond donor(s) and 6 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-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid?
The CAS number of 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid is 337312-07-9.
What is the molecular formula of 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid?
The molecular formula of 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid is C13H17N3O5.
What is the molecular weight of 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid?
The molecular weight of 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid is 295.12 g/mol.
Where can I buy 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid?
You can request a quote for 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-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 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[4-(2-Hydroxyethyl)-1-piperazinyl]-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.