3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid
TL;DR: 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid (CAS 22871-56-3) is a chemical compound with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-hydroxyethylcarbamoyl)-5-nitrobenzoic acid
Also Known As: 3-((2-Hydroxyethyl)carbamoyl)-5-nitrobenzoic acid, 3-(2-hydroxyethylcarbamoyl)-5-nitrobenzoic acid, 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid, 3-[(2-hydroxyethyl)carbamoyl]-5-nitrobenzoic acid, 3-[[ amino]carbonyl]-5-nitrobenzoicacid
| Molecular Formula | C10H10N2O6 |
|---|---|
| Molecular Weight | 254.05 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 132.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.05388 |
| Heavy Atoms | 18 |
| Complexity | 340.0 |
Chemical Identifiers
| CAS Number | 22871-56-3 |
|---|---|
| SMILES | C1=C(C=C(C=C1C(=O)O)[N+](=O)[O-])C(=O)NCCO |
| InChIKey | CPXQPGXUDGWVSK-UHFFFAOYSA-N |
Product Overview
3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid (CAS 22871-56-3), with molecular formula C10H10N2O6 and molecular weight 254.05 g/mol. IUPAC: 3-(2-hydroxyethylcarbamoyl)-5-nitrobenzoic acid.
Chemical Property Profile of 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid
Property Insights of 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid
The XLogP value of -0.1 indicates that 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 132.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid has 3 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 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid?
The CAS number of 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid is 22871-56-3.
What is the molecular formula of 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid?
The molecular formula of 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid is C10H10N2O6.
What is the molecular weight of 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid?
The molecular weight of 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid is 254.05 g/mol.
Where can I buy 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid?
You can request a quote for 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-(((2-Hydroxyethyl)amino)carbonyl)-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.