1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone
TL;DR: 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone (CAS 851802-44-3) is a chemical compound with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone
Also Known As: 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone, F0630-0800, 1-(2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethan-1-one, 1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone
| Molecular Formula | C18H17N3O4S |
|---|---|
| Molecular Weight | 371.09 g/mol |
| LogP | 3.1052 |
| Topological Polar Surface Area | 85.04 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 371.09396 |
| Heavy Atoms | 26 |
| Complexity | 808.94574 |
Chemical Identifiers
| CAS Number | 851802-44-3 |
|---|---|
| SMILES | C1CN(C(=N1)SCC2=CC=C(C=C2)[N+](=O)[O-])C(=O)COC3=CC=CC=C3 |
Product Overview
1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone (CAS 851802-44-3), with molecular formula C18H17N3O4S and molecular weight 371.09 g/mol. IUPAC: 1-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]-2-phenoxyethanone.
Chemical Property Profile of 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone
Property Insights of 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone
The XLogP value of 3.1052 indicates that 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone. Following Lipinski's Rule of Five, 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone 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 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone?
The CAS number of 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone is 851802-44-3.
What is the molecular formula of 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone?
The molecular formula of 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone is C18H17N3O4S.
What is the molecular weight of 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone?
The molecular weight of 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone is 371.09 g/mol.
Where can I buy 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone?
You can request a quote for 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)-2-phenoxyethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.