5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole
TL;DR: 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole (CAS 433688-94-9) is a chemical compound with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-benzylsulfanyl-2-methyl-5-nitro-1H-imidazole
Also Known As: 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole, 4-benzylsulfanyl-2-methyl-5-nitro-1H-imidazole, 5-(benzylthio)-2-methyl-4-nitro-1H-imidazole, 5-(benzylsulfanyl)-2-methyl-4-nitro-1H-imidazole, AJ-292/41083261
| Molecular Formula | C11H11N3O2S |
|---|---|
| Molecular Weight | 249.06 g/mol |
| LogP | 2.91862 |
| Topological Polar Surface Area | 71.82 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 249.0572 |
| Heavy Atoms | 17 |
| Complexity | 524.76776 |
Chemical Identifiers
| CAS Number | 433688-94-9 |
|---|---|
| SMILES | CC1=NC(=C(N1)[N+](=O)[O-])SCC2=CC=CC=C2 |
Product Overview
5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole (CAS 433688-94-9), with molecular formula C11H11N3O2S and molecular weight 249.06 g/mol. IUPAC: 4-benzylsulfanyl-2-methyl-5-nitro-1H-imidazole.
Chemical Property Profile of 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole
Property Insights of 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole
The XLogP value of 2.91862 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole. The TPSA of 71.82 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole. Following Lipinski's Rule of Five, 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole has 1 hydrogen bond donor(s) and 4 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-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole?
The CAS number of 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole is 433688-94-9.
What is the molecular formula of 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole?
The molecular formula of 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole is C11H11N3O2S.
What is the molecular weight of 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole?
The molecular weight of 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole is 249.06 g/mol.
Where can I buy 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole?
You can request a quote for 5-(benzylsulfanyl)-4-nitro-2-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-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 5-(benzylsulfanyl)-4-nitro-2-methyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.