5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid
TL;DR: 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid (CAS 500202-08-4) is a chemical compound with molecular formula C11H8N4O5 and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(4-nitrophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid
Also Known As: 4-[(4-nitrophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid, 4-((4-nitrophenyl)carbamoyl)-1H-imidazole-5-carboxylic acid, 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid, 4-[N-(4-nitrophenyl)carbamoyl]imidazole-5-carboxylic acid, 5-[(4-Nitroanilino)carbonyl]-1H-imidazole-4-carboxylic acid #
| Molecular Formula | C11H8N4O5 |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.04947 |
| Heavy Atoms | 20 |
| Complexity | 402.0 |
Chemical Identifiers
| CAS Number | 500202-08-4 |
|---|---|
| SMILES | C1=CC(=CC=C1NC(=O)C2=C(NC=N2)C(=O)O)[N+](=O)[O-] |
| InChIKey | YJUBHURCCLOHSI-UHFFFAOYSA-N |
Product Overview
5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid (CAS 500202-08-4), with molecular formula C11H8N4O5 and molecular weight 276.05 g/mol. IUPAC: 4-[(4-nitrophenyl)carbamoyl]-1H-imidazole-5-carboxylic acid.
Chemical Property Profile of 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid
Property Insights of 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid. The TPSA of 141.0 Ų indicates high polarity, suggesting 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid has 3 hydrogen bond donor(s) and 6 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 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid?
The CAS number of 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid is 500202-08-4.
What is the molecular formula of 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid?
The molecular formula of 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid is C11H8N4O5.
What is the molecular weight of 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid?
The molecular weight of 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid is 276.05 g/mol.
Where can I buy 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid?
You can request a quote for 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(4-Nitro-phenylcarbamoyl)-1H-imidazole-4-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.