2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate
TL;DR: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate (CAS 501650-03-9) is a chemical compound with molecular formula C13H12FN3O4 and molecular weight 293.08 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-fluorobenzoate
Also Known As: 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate, UPCMLD0ENAT5960245:001, VU0610347-1, 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-fluorobenzoate, 2-{5-nitro-2-methyl-1H-imidazol-1-yl}ethyl 4-fluorobenzoate
| Molecular Formula | C13H12FN3O4 |
|---|---|
| Molecular Weight | 293.08 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 89.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 293.08118 |
| Heavy Atoms | 21 |
| Complexity | 382.0 |
Chemical Identifiers
| CAS Number | 501650-03-9 |
|---|---|
| SMILES | CC1=NC=C(N1CCOC(=O)C2=CC=C(C=C2)F)[N+](=O)[O-] |
| InChIKey | MPUGMOOCRUVYDO-UHFFFAOYSA-N |
Product Overview
2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate (CAS 501650-03-9), with molecular formula C13H12FN3O4 and molecular weight 293.08 g/mol. IUPAC: 2-(2-methyl-5-nitroimidazol-1-yl)ethyl 4-fluorobenzoate.
Chemical Property Profile of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate
Property Insights of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate. 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-fluorobenzoate. Following Lipinski's Rule of Five, 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate 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-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate?
The CAS number of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate is 501650-03-9.
What is the molecular formula of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate?
The molecular formula of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate is C13H12FN3O4.
What is the molecular weight of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate?
The molecular weight of 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate is 293.08 g/mol.
Where can I buy 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate?
You can request a quote for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate 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-fluorobenzoate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-fluorobenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.