2-(2-Nitroimidazol-1-yl)acetic acid
TL;DR: 2-(2-Nitroimidazol-1-yl)acetic acid (CAS 22813-32-7) 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-(2-nitroimidazol-1-yl)acetic acid
Also Known As: 2-(2-Nitro-1H-imidazol-1-yl)acetic acid, 2-(2-Nitroimidazol-1-yl)acetic acid, NCIStruc1_000016, NCIStruc2_000181, 1H-Imidazole-1-acetic acid, 2-nitro-
| Molecular Formula | C5H5N3O4 |
|---|---|
| Molecular Weight | 171.03 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 171.028 |
| Heavy Atoms | 12 |
| Complexity | 201.0 |
Chemical Identifiers
| CAS Number | 22813-32-7 |
|---|---|
| SMILES | C1=CN(C(=N1)[N+](=O)[O-])CC(=O)O |
| InChIKey | TYDGDUVFDYKZMY-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Nitroimidazol-1-yl)acetic acid (CAS 22813-32-7), with molecular formula C5H5N3O4 and molecular weight 171.03 g/mol. IUPAC: 2-(2-nitroimidazol-1-yl)acetic acid.
Chemical Property Profile of 2-(2-Nitroimidazol-1-yl)acetic acid
Property Insights of 2-(2-Nitroimidazol-1-yl)acetic acid
The XLogP value of -0.4 indicates that 2-(2-Nitroimidazol-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-(2-Nitroimidazol-1-yl)acetic acid. Following Lipinski's Rule of Five, 2-(2-Nitroimidazol-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-(2-Nitroimidazol-1-yl)acetic acid?
The CAS number of 2-(2-Nitroimidazol-1-yl)acetic acid is 22813-32-7.
What is the molecular formula of 2-(2-Nitroimidazol-1-yl)acetic acid?
The molecular formula of 2-(2-Nitroimidazol-1-yl)acetic acid is C5H5N3O4.
What is the molecular weight of 2-(2-Nitroimidazol-1-yl)acetic acid?
The molecular weight of 2-(2-Nitroimidazol-1-yl)acetic acid is 171.03 g/mol.
Where can I buy 2-(2-Nitroimidazol-1-yl)acetic acid?
You can request a quote for 2-(2-Nitroimidazol-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-(2-Nitroimidazol-1-yl)acetic acid?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Nitroimidazol-1-yl)acetic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.