![5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole structure](/static/products/353/353280-76-9.png)
5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole
TL;DR: 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole (CAS 353280-76-9) is a chemical compound with molecular formula C10H8FN3O2S and molecular weight 253.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(4-fluorophenyl)sulfanyl-1-methyl-4-nitroimidazole
Also Known As: 5-(4-fluorophenyl)sulfanyl-1-methyl-4-nitroimidazole, 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole, AJ-333/36116008, 5-[(4-fluorophenyl)sulfanyl]-1-methyl-4-nitro-1H-imidazole
| Molecular Formula | C10H8FN3O2S |
|---|---|
| Molecular Weight | 253.03 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 88.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 253.03212 |
| Heavy Atoms | 17 |
| Complexity | 281.0 |
Chemical Identifiers
| CAS Number | 353280-76-9 |
|---|---|
| SMILES | CN1C=NC(=C1SC2=CC=C(C=C2)F)[N+](=O)[O-] |
| InChIKey | IXNCZYALJRBHNJ-UHFFFAOYSA-N |
Product Overview
5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole (CAS 353280-76-9), with molecular formula C10H8FN3O2S and molecular weight 253.03 g/mol. IUPAC: 5-(4-fluorophenyl)sulfanyl-1-methyl-4-nitroimidazole.
Chemical Property Profile of 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole
Property Insights of 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole. The TPSA of 88.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole. Following Lipinski's Rule of Five, 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole 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 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole?
The CAS number of 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole is 353280-76-9.
What is the molecular formula of 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole?
The molecular formula of 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole is C10H8FN3O2S.
What is the molecular weight of 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole?
The molecular weight of 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole is 253.03 g/mol.
Where can I buy 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole?
You can request a quote for 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-fluorophenyl)sulfanyl]-4-nitro-1-methyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.