(2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid
TL;DR: (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid (CAS 16230-87-8) is a chemical compound with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-4-nitroimidazol-1-yl)acetic acid
Also Known As: (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid, 2-(2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid, Metronidazole Impurity 32, Metronidazole Impurity 48, 1H-Imidazole-1-acetic acid, 2-methyl-4-nitro-
| Molecular Formula | C6H7N3O4 |
|---|---|
| Molecular Weight | 185.04 g/mol |
| LogP | -0.1 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 185.04366 |
| Heavy Atoms | 13 |
| Complexity | 226.0 |
Chemical Identifiers
| CAS Number | 16230-87-8 |
|---|---|
| SMILES | CC1=NC(=CN1CC(=O)O)[N+](=O)[O-] |
| InChIKey | NLTLZGISRLBDJI-UHFFFAOYSA-N |
Product Overview
(2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid (CAS 16230-87-8), with molecular formula C6H7N3O4 and molecular weight 185.04 g/mol. IUPAC: 2-(2-methyl-4-nitroimidazol-1-yl)acetic acid.
Chemical Property Profile of (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid
Property Insights of (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid
The XLogP value of -0.1 indicates that (2-methyl-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 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid. Following Lipinski's Rule of Five, (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid has 1 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-methyl-4-nitro-1H-imidazol-1-yl)acetic acid?
The CAS number of (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid is 16230-87-8.
What is the molecular formula of (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid?
The molecular formula of (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid is C6H7N3O4.
What is the molecular weight of (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid?
The molecular weight of (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid is 185.04 g/mol.
Where can I buy (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid?
You can request a quote for (2-methyl-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 (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for (2-methyl-4-nitro-1H-imidazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.