![2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid structure](/static/products/890/890095-67-7.png)
2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid
TL;DR: 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid (CAS 890095-67-7) is a chemical compound with molecular formula C12H12N4O4 and molecular weight 276.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitrobenzoic acid
Also Known As: 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid, 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitrobenzoic acid, 2-[(2-imidazol-4-ylethyl)amino]-5-nitrobenzoic acid, 2-[[2-(1H-Imidazol-5-yl)ethyl]amino]-5-nitrobenzoic acid, 2-[2-(3H-imidazol-4-yl)ethylamino]-5-nitro-benzoic Acid
| Molecular Formula | C12H12N4O4 |
|---|---|
| Molecular Weight | 276.09 g/mol |
| LogP | 1.6707 |
| Topological Polar Surface Area | 121.15 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 276.08585 |
| Heavy Atoms | 20 |
| Complexity | 624.3925 |
Chemical Identifiers
| CAS Number | 890095-67-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)NCCC2=CN=CN2 |
Product Overview
2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid (CAS 890095-67-7), with molecular formula C12H12N4O4 and molecular weight 276.09 g/mol. IUPAC: 2-[2-(1H-imidazol-5-yl)ethylamino]-5-nitrobenzoic acid.
Chemical Property Profile of 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid
Property Insights of 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid
The XLogP value of 1.6707 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid. The TPSA of 121.15 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid. Following Lipinski's Rule of Five, 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-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 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid?
The CAS number of 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid is 890095-67-7.
What is the molecular formula of 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid?
The molecular formula of 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid is C12H12N4O4.
What is the molecular weight of 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid?
The molecular weight of 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid is 276.09 g/mol.
Where can I buy 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid?
You can request a quote for 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-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 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-{[2-(1H-imidazol-4-yl)ethyl]amino}-5-nitrobenzoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.