1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride
TL;DR: 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride (CAS 131028-62-1) is a chemical compound with molecular formula C15H21ClN2S and molecular weight 296.1114 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
5-methyl-4-(4-phenylbutylsulfanylmethyl)-1H-imidazole;hydrochloride
Also Known As: 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride, 4-Methyl-5-(((4-phenylbutyl)thio)methyl)-1H-imidazole monohydrochloride, 5-methyl-4-(4-phenylbutylsulfanylmethyl)-1H-imidazole hydrochloride, 5-Methyl-4-{[(4-phenylbutyl)sulfanyl]methyl}-1H-imidazole--hydrogen chloride (1/1)
Technical Specifications
| Molecular Formula | C15H21ClN2S |
| Molecular Weight | 296.1114 g/mol |
| XLogP | 4.39602 |
| Topological Polar Surface Area (TPSA) | 54.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 296.1114 Da |
| Heavy Atoms | 19 |
| Complexity | 217.0 |
| SMILES | CC1=C(N=CN1)CSCCCCC2=CC=CC=C2.Cl |
| InChIKey | PDDXAJBCNAAMCX-UHFFFAOYSA-N |
Chemical Property Profile of 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride
Property Insights of 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride
The XLogP value of 4.39602 indicates that 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride?
The CAS number of 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride is 131028-62-1.
What is the molecular formula of 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride?
The molecular formula of 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride is C15H21ClN2S.
What is the molecular weight of 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride?
The molecular weight of 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride is 296.1114 g/mol.
Where can I buy 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride?
You can request a quote for 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride?
Yes, CoreyChem provides custom synthesis services for 1H-Imidazole, 4-methyl-5-(((4-phenylbutyl)thio)methyl)-, monohydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.