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2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole
TL;DR: 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole (CAS 478046-19-4) is a chemical compound with molecular formula C16H12ClFN2S and molecular weight 318.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-phenylimidazole
Also Known As: 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole, 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-phenylimidazole, 4R-0054, 2-{[(2-chloro-6-fluorophenyl)methyl]sulfanyl}-1-phenyl-1H-imidazole
| Molecular Formula | C16H12ClFN2S |
|---|---|
| Molecular Weight | 318.04 g/mol |
| LogP | 4.9571 |
| Topological Polar Surface Area | 17.82 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 318.03937 |
| Heavy Atoms | 21 |
| Complexity | 722.7927 |
Chemical Identifiers
| CAS Number | 478046-19-4 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C=CN=C2SCC3=C(C=CC=C3Cl)F |
Product Overview
2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole (CAS 478046-19-4), with molecular formula C16H12ClFN2S and molecular weight 318.04 g/mol. IUPAC: 2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-1-phenylimidazole.
Chemical Property Profile of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole
Property Insights of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole
The XLogP value of 4.9571 indicates that 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.82 Ų, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole has 0 hydrogen bond donor(s) and 2 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-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole?
The CAS number of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole is 478046-19-4.
What is the molecular formula of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole?
The molecular formula of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole is C16H12ClFN2S.
What is the molecular weight of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole?
The molecular weight of 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole is 318.04 g/mol.
Where can I buy 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole?
You can request a quote for 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-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-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-chloro-6-fluorobenzyl)sulfanyl]-1-phenyl-1H-imidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.