2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester
TL;DR: 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester (CAS 102274-43-1) is a chemical compound with molecular formula C13H11Cl2N3O4 and molecular weight 343.01 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 2,4-dichlorobenzoate
Also Known As: Metronidazole Impurity 27, BAS 00185749, 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester, 2-(2-methyl-5-nitroimidazolyl)ethyl 2,4-dichlorobenzoate, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2,4-dichlorobenzoate
| Molecular Formula | C13H11Cl2N3O4 |
|---|---|
| Molecular Weight | 343.01 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 343.01266 |
| Heavy Atoms | 22 |
| Complexity | 421.0 |
Chemical Identifiers
| CAS Number | 102274-43-1 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=C(C=C(C=C2)Cl)Cl)[N+](=O)[O-] |
| InChIKey | UPOGOBRIGAKYDA-UHFFFAOYSA-N |
Product Overview
2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester (CAS 102274-43-1), with molecular formula C13H11Cl2N3O4 and molecular weight 343.01 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 2,4-dichlorobenzoate.
Chemical Property Profile of 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester
Property Insights of 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester
The XLogP value of 3.2 indicates that 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester. Following Lipinski's Rule of Five, 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester 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 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester?
The CAS number of 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester is 102274-43-1.
What is the molecular formula of 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester?
The molecular formula of 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester is C13H11Cl2N3O4.
What is the molecular weight of 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester?
The molecular weight of 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester is 343.01 g/mol.
Where can I buy 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester?
You can request a quote for 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Dichloro-benzoic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.