2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate
TL;DR: 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate (CAS 102274-40-8) is a chemical compound with molecular formula C13H12ClN3O4 and molecular weight 309.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-chlorobenzoate
Also Known As: Metronidazole Impurity 29, 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-chlorobenzoate, Benzoic acid, 4-chloro-, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl ester
| Molecular Formula | C13H12ClN3O4 |
|---|---|
| Molecular Weight | 309.05 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 309.05164 |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 102274-40-8 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC=C(C=C2)Cl)[N+](=O)[O-] |
| InChIKey | NMXSQMILUARPIL-UHFFFAOYSA-N |
Product Overview
2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate (CAS 102274-40-8), with molecular formula C13H12ClN3O4 and molecular weight 309.05 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-chlorobenzoate.
Chemical Property Profile of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate
Property Insights of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate. Following Lipinski's Rule of Five, 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate has 0 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-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate?
The CAS number of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate is 102274-40-8.
What is the molecular formula of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate?
The molecular formula of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate is C13H12ClN3O4.
What is the molecular weight of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate?
The molecular weight of 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate is 309.05 g/mol.
Where can I buy 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate?
You can request a quote for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-chlorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.