1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)-
TL;DR: 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)- (CAS 89372-85-0) is a chemical compound with molecular formula C17H22N2OS and molecular weight 302.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-imidazol-1-yl-3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-one
Also Known As: 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)-, 1-(1H-Imidazol-1-yl)-3,3-dimethyl-2-(4-(methylthio)benzyl)butan-1-one, 1-imidazol-1-yl-3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-one, 1-(1h-imidazol-1-yl)-3,3-dimethyl-2-[4-(methylsulfanyl)benzyl]butan-1-one, 1-(1H-Imidazol-1-yl)-3,3-dimethyl-2-{[4-(methylsulfanyl)phenyl]methyl}butan-1-one
| Molecular Formula | C17H22N2OS |
|---|---|
| Molecular Weight | 302.15 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.1453 |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
Chemical Identifiers
| CAS Number | 89372-85-0 |
|---|---|
| SMILES | CC(C)(C)C(CC1=CC=C(C=C1)SC)C(=O)N2C=CN=C2 |
| InChIKey | OCHIWWCYMNEIJV-UHFFFAOYSA-N |
Product Overview
1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)- (CAS 89372-85-0), with molecular formula C17H22N2OS and molecular weight 302.15 g/mol. IUPAC: 1-imidazol-1-yl-3,3-dimethyl-2-[(4-methylsulfanylphenyl)methyl]butan-1-one.
Chemical Property Profile of 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)-
Property Insights of 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)-
The XLogP value of 4.1 indicates that 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)-. Following Lipinski's Rule of Five, 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)- has 0 hydrogen bond donor(s) and 3 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 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)-?
The CAS number of 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)- is 89372-85-0.
What is the molecular formula of 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)-?
The molecular formula of 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)- is C17H22N2OS.
What is the molecular weight of 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)-?
The molecular weight of 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)- is 302.15 g/mol.
Where can I buy 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)-?
You can request a quote for 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 1-(3,3-dimethyl-2-((4-(methylthio)phenyl)methyl)-1-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.