(4-nitro-1H-imidazol-1-yl)acetic acid
TL;DR: (4-nitro-1H-imidazol-1-yl)acetic acid (CAS 59566-52-8) is a chemical compound with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-nitroimidazol-1-yl)acetic acid
Also Known As: (4-nitro-1H-imidazol-1-yl)acetic acid, aceticacid, 2-(4-Nitro-1H-imidazol-1-yl)acetic acid, (4-Nitro-imidazol-1-yl)-acetic acid, 2-(4-nitroimidazol-1-yl)acetic acid
| Molecular Formula | C5H5N3O4 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | -0.1241 |
| Topological Polar Surface Area | 98.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 171.028 |
| Heavy Atoms | 12 |
| Complexity | 318.24817 |
Chemical Identifiers
| CAS Number | 59566-52-8 |
|---|---|
| SMILES | C1=C(N=CN1CC(=O)O)[N+](=O)[O-] |
Product Overview
(4-nitro-1H-imidazol-1-yl)acetic acid (CAS 59566-52-8), with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol. IUPAC: 2-(4-nitroimidazol-1-yl)acetic acid.
Chemical Property Profile of (4-nitro-1H-imidazol-1-yl)acetic acid
Property Insights of (4-nitro-1H-imidazol-1-yl)acetic acid
The XLogP value of -0.1241 indicates that (4-nitro-1H-imidazol-1-yl)acetic acid is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 98.26 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-nitro-1H-imidazol-1-yl)acetic acid. Following Lipinski's Rule of Five, (4-nitro-1H-imidazol-1-yl)acetic acid has 1 hydrogen bond donor(s) and 4 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-nitro-1H-imidazol-1-yl)acetic acid?
The CAS number of (4-nitro-1H-imidazol-1-yl)acetic acid is 59566-52-8.
What is the molecular formula of (4-nitro-1H-imidazol-1-yl)acetic acid?
The molecular formula of (4-nitro-1H-imidazol-1-yl)acetic acid is C5H5N3O4.
What is the molecular weight of (4-nitro-1H-imidazol-1-yl)acetic acid?
The molecular weight of (4-nitro-1H-imidazol-1-yl)acetic acid is 171.03 g/mol.
Where can I buy (4-nitro-1H-imidazol-1-yl)acetic acid?
You can request a quote for (4-nitro-1H-imidazol-1-yl)acetic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-nitro-1H-imidazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (4-nitro-1H-imidazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.