![4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid structure](/static/products/5932/59320-41-1.webp)
4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid
TL;DR: 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid (CAS 59320-41-1) is a chemical compound with molecular formula C9H11N3O4 and molecular weight 225.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(2-aminoethylamino)-3-nitrobenzoic acid
Also Known As: 4-[(2-AMINOETHYL)AMINO]-3-NITROBENZOIC ACID, 4-((2-Aminoethyl)amino)-3-nitrobenzoic acid, 4-(2-aminoethylamino)-3-nitrobenzoic acid, CHEMBRDG-BB 6521568, 4-(2-aminoethylamino)-3-nitro-benzoic Acid
| Molecular Formula | C9H11N3O4 |
|---|---|
| Molecular Weight | 225.07 g/mol |
| LogP | 0.6636 |
| Topological Polar Surface Area | 118.49 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 225.07495 |
| Heavy Atoms | 16 |
| Complexity | 419.21518 |
Chemical Identifiers
| CAS Number | 59320-41-1 |
|---|---|
| SMILES | C1=CC(=C(C=C1C(=O)O)[N+](=O)[O-])NCCN |
Product Overview
4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid (CAS 59320-41-1), with molecular formula C9H11N3O4 and molecular weight 225.07 g/mol. IUPAC: 4-(2-aminoethylamino)-3-nitrobenzoic acid.
Chemical Property Profile of 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid
Property Insights of 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid
The XLogP value of 0.6636 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid. The TPSA of 118.49 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid. Following Lipinski's Rule of Five, 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid has 3 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 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid?
The CAS number of 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid is 59320-41-1.
What is the molecular formula of 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid?
The molecular formula of 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid is C9H11N3O4.
What is the molecular weight of 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid?
The molecular weight of 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid is 225.07 g/mol.
Where can I buy 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid?
You can request a quote for 4-[(2-Aminoethyl)amino]-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-[(2-Aminoethyl)amino]-3-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 4-[(2-Aminoethyl)amino]-3-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.