1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride
TL;DR: 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride (CAS 139261-80-6) is a chemical compound with molecular formula C13H15Cl2N3O2 and molecular weight 315.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-(4-chloroanilino)-5-methyl-1H-imidazole-4-carboxylate;hydrochloride
Also Known As: 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride, Ethyl 2-((4-chlorophenyl)amino)-5-methyl-1H-imidazole-4-carboxylate hydrochloride, ethyl 2-(4-chloroanilino)-5-methyl-1H-imidazole-4-carboxylate hydrochloride, Ethyl 2-(4-chloroanilino)-5-methyl-1H-imidazole-4-carboxylate--hydrogen chloride (1/1), RefChem:238235
| Molecular Formula | C13H15Cl2N3O2 |
|---|---|
| Molecular Weight | 315.05 g/mol |
| LogP | 3.71362 |
| Topological Polar Surface Area | 67.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 315.05414 |
| Heavy Atoms | 20 |
| Complexity | 581.80225 |
Chemical Identifiers
| CAS Number | 139261-80-6 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=N1)NC2=CC=C(C=C2)Cl)C.Cl |
Product Overview
1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride (CAS 139261-80-6), with molecular formula C13H15Cl2N3O2 and molecular weight 315.05 g/mol. IUPAC: ethyl 2-(4-chloroanilino)-5-methyl-1H-imidazole-4-carboxylate;hydrochloride.
Chemical Property Profile of 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride
Property Insights of 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride
The XLogP value of 3.71362 indicates that 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride. Following Lipinski's Rule of Five, 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride 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 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride?
The CAS number of 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride is 139261-80-6.
What is the molecular formula of 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride?
The molecular formula of 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride is C13H15Cl2N3O2.
What is the molecular weight of 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride?
The molecular weight of 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride is 315.05 g/mol.
Where can I buy 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride?
You can request a quote for 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole-4-carboxylic acid, 2-((4-chlorophenyl)amino)-5-methyl-, ethyl ester, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.