5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester
TL;DR: 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester (CAS 312758-83-1) is a chemical compound with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate
Also Known As: ethyl 5-(benzylcarbamoyl)-1H-imidazole-4-carboxylate, J1.843.721J, ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate, AH-034/11365815, 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester
| Molecular Formula | C14H15N3O3 |
|---|---|
| Molecular Weight | 273.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 84.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 273.11133 |
| Heavy Atoms | 20 |
| Complexity | 343.0 |
Chemical Identifiers
| CAS Number | 312758-83-1 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=CN1)C(=O)NCC2=CC=CC=C2 |
| InChIKey | QWGMBIBRDHIPPE-UHFFFAOYSA-N |
Product Overview
5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester (CAS 312758-83-1), with molecular formula C14H15N3O3 and molecular weight 273.11 g/mol. IUPAC: ethyl 4-(benzylcarbamoyl)-1H-imidazole-5-carboxylate.
Chemical Property Profile of 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester
Property Insights of 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester. The TPSA of 84.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester. Following Lipinski's Rule of Five, 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester has 2 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 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester?
The CAS number of 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester is 312758-83-1.
What is the molecular formula of 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester?
The molecular formula of 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester is C14H15N3O3.
What is the molecular weight of 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester?
The molecular weight of 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester is 273.11 g/mol.
Where can I buy 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester?
You can request a quote for 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 5-Benzylcarbamoyl-1H-imidazole-4-carboxylic acid ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.