(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone
TL;DR: (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone (CAS 851802-12-5) is a chemical compound with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-methylphenyl)-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone
Also Known As: (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone, (2-methylphenyl)-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone, 1-(2-methylbenzoyl)-2-{[(4-nitrophenyl)methyl]sulfanyl}-4,5-dihydro-1H-imidazole
| Molecular Formula | C18H17N3O3S |
|---|---|
| Molecular Weight | 355.10 g/mol |
| LogP | 3.64842 |
| Topological Polar Surface Area | 75.81 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 355.09906 |
| Heavy Atoms | 25 |
| Complexity | 833.71484 |
Chemical Identifiers
| CAS Number | 851802-12-5 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)N2CCN=C2SCC3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
(2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone (CAS 851802-12-5), with molecular formula C18H17N3O3S and molecular weight 355.10 g/mol. IUPAC: (2-methylphenyl)-[2-[(4-nitrophenyl)methylsulfanyl]-4,5-dihydroimidazol-1-yl]methanone.
Chemical Property Profile of (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone
Property Insights of (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone
The XLogP value of 3.64842 indicates that (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.81 Ų falls within the moderate polarity range, balancing permeability and solubility for (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone. Following Lipinski's Rule of Five, (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone 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 (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone?
The CAS number of (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone is 851802-12-5.
What is the molecular formula of (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone?
The molecular formula of (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone is C18H17N3O3S.
What is the molecular weight of (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone?
The molecular weight of (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone is 355.10 g/mol.
Where can I buy (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone?
You can request a quote for (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone?
Yes, KEHONG BIO provides custom synthesis services for (2-((4-nitrobenzyl)thio)-4,5-dihydro-1H-imidazol-1-yl)(o-tolyl)methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.