2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole
TL;DR: 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole (CAS 868217-87-2) is a chemical compound with molecular formula C13H18N2O2S2 and molecular weight 298.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,5-dimethylphenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole
Also Known As: F1804-0170, 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole, 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole, 2-{[(2,5-dimethylphenyl)methyl]sulfanyl}-1-methanesulfonyl-4,5-dihydro-1H-imidazole
| Molecular Formula | C13H18N2O2S2 |
|---|---|
| Molecular Weight | 298.08 g/mol |
| LogP | 2.16784 |
| Topological Polar Surface Area | 49.74 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 298.08096 |
| Heavy Atoms | 19 |
| Complexity | 609.0693 |
Chemical Identifiers
| CAS Number | 868217-87-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)C)CSC2=NCCN2S(=O)(=O)C |
Product Overview
2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole (CAS 868217-87-2), with molecular formula C13H18N2O2S2 and molecular weight 298.08 g/mol. IUPAC: 2-[(2,5-dimethylphenyl)methylsulfanyl]-1-methylsulfonyl-4,5-dihydroimidazole.
Chemical Property Profile of 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole
Property Insights of 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole
The XLogP value of 2.16784 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole. With a topological polar surface area (TPSA) of 49.74 Ų, 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole has 0 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 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole?
The CAS number of 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole is 868217-87-2.
What is the molecular formula of 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole?
The molecular formula of 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole is C13H18N2O2S2.
What is the molecular weight of 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole?
The molecular weight of 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole is 298.08 g/mol.
Where can I buy 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole?
You can request a quote for 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-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-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-((2,5-dimethylbenzyl)thio)-1-(methylsulfonyl)-4,5-dihydro-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.