1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)-
TL;DR: 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)- (CAS 94125-97-0) is a chemical compound with molecular formula C15H17ClN2OS and molecular weight 308.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenyl)sulfanyl-1-imidazol-1-yl-3,3-dimethylbutan-1-one
Also Known As: 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)-, 2-(4-chlorophenyl)sulfanyl-1-imidazol-1-yl-3,3-dimethylbutan-1-one, 2-(4-chlorophenyl)sulfanyl-1-imidazol-1-yl-3,3-dimethyl-butan-1-one, 2-[(4-Chlorophenyl)sulfanyl]-1-(1H-imidazol-1-yl)-3,3-dimethylbutan-1-one
| Molecular Formula | C15H17ClN2OS |
|---|---|
| Molecular Weight | 308.07 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 60.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 308.075 |
| Heavy Atoms | 20 |
| Complexity | 337.0 |
Chemical Identifiers
| CAS Number | 94125-97-0 |
|---|---|
| SMILES | CC(C)(C)C(C(=O)N1C=CN=C1)SC2=CC=C(C=C2)Cl |
| InChIKey | VGBGUIBQJPZSCV-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)- (CAS 94125-97-0), with molecular formula C15H17ClN2OS and molecular weight 308.07 g/mol. IUPAC: 2-(4-chlorophenyl)sulfanyl-1-imidazol-1-yl-3,3-dimethylbutan-1-one.
Chemical Property Profile of 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)-
Property Insights of 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)-
The XLogP value of 4.5 indicates that 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-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-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)-. Following Lipinski's Rule of Five, 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-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-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)-?
The CAS number of 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)- is 94125-97-0.
What is the molecular formula of 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)-?
The molecular formula of 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)- is C15H17ClN2OS.
What is the molecular weight of 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)-?
The molecular weight of 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)- is 308.07 g/mol.
Where can I buy 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)-?
You can request a quote for 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-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-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1H-Imidazole, 1-(2-((4-chlorophenoxy)thio)-3,3-dimethyl-1-oxobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.