2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole
TL;DR: 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole (CAS 868218-97-7) is a chemical compound with molecular formula C17H17N3O4S2 and molecular weight 391.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-methylphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
Also Known As: 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole, F1804-0291, 1-(4-methylbenzenesulfonyl)-2-{[(3-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole, 1-(4-methylphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole
| Molecular Formula | C17H17N3O4S2 |
|---|---|
| Molecular Weight | 391.07 g/mol |
| LogP | 3.19692 |
| Topological Polar Surface Area | 92.88 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.06604 |
| Heavy Atoms | 26 |
| Complexity | 956.2282 |
Chemical Identifiers
| CAS Number | 868218-97-7 |
|---|---|
| SMILES | CC1=CC=C(C=C1)S(=O)(=O)N2CCN=C2SCC3=CC(=CC=C3)[N+](=O)[O-] |
Product Overview
2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole (CAS 868218-97-7), with molecular formula C17H17N3O4S2 and molecular weight 391.07 g/mol. IUPAC: 1-(4-methylphenyl)sulfonyl-2-[(3-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazole.
Chemical Property Profile of 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole
Property Insights of 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole
The XLogP value of 3.19692 indicates that 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.88 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole. Following Lipinski's Rule of Five, 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole 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-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole?
The CAS number of 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole is 868218-97-7.
What is the molecular formula of 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole?
The molecular formula of 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole is C17H17N3O4S2.
What is the molecular weight of 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole?
The molecular weight of 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole is 391.07 g/mol.
Where can I buy 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole?
You can request a quote for 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((3-nitrobenzyl)thio)-1-tosyl-4,5-dihydro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.