2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate
TL;DR: 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate (CAS 314747-25-6) is a chemical compound with molecular formula C11H11N3O4S and molecular weight 281.05 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 thiophene-2-carboxylate
Also Known As: BAS 00383131, 2-(2-methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl thiophene-2-carboxylate, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl thiophene-2-carboxylate, Thiophene-2-carboxylic acid 2-(2-methyl-5-nitro-imidazol-1-yl)-ethyl ester
| Molecular Formula | C11H11N3O4S |
|---|---|
| Molecular Weight | 281.05 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 281.04703 |
| Heavy Atoms | 19 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 314747-25-6 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC=CS2)[N+](=O)[O-] |
| InChIKey | GFOPYAISENPYTB-UHFFFAOYSA-N |
Product Overview
2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate (CAS 314747-25-6), with molecular formula C11H11N3O4S and molecular weight 281.05 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl thiophene-2-carboxylate.
Chemical Property Profile of 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate
Property Insights of 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate. Following Lipinski's Rule of Five, 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate has 0 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 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate?
The CAS number of 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate is 314747-25-6.
What is the molecular formula of 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate?
The molecular formula of 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate is C11H11N3O4S.
What is the molecular weight of 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate?
The molecular weight of 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate is 281.05 g/mol.
Where can I buy 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate?
You can request a quote for 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate 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-nitroimidazolyl)ethyl thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Methyl-5-nitroimidazolyl)ethyl thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.