2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole
TL;DR: 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole (CAS 333442-62-9) is a chemical compound with molecular formula C14H10F2N2S and molecular weight 276.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,6-difluorophenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: BAS 01958871, 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole, 2-[(2,6-difluorophenyl)methylsulfanyl]-1H-benzimidazole, 2-[(2,6-difluorobenzyl)thio]-1H-benzimidazole, 2-((2,6-difluorobenzyl)thio)-1H-benzo[d]imidazole
| Molecular Formula | C14H10F2N2S |
|---|---|
| Molecular Weight | 276.05 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 276.05328 |
| Heavy Atoms | 19 |
| Complexity | 295.0 |
Chemical Identifiers
| CAS Number | 333442-62-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC3=C(C=CC=C3F)F |
| InChIKey | IXJUKRIVTAHBEU-UHFFFAOYSA-N |
Product Overview
2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole (CAS 333442-62-9), with molecular formula C14H10F2N2S and molecular weight 276.05 g/mol. IUPAC: 2-[(2,6-difluorophenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole
Property Insights of 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole
The XLogP value of 4.0 indicates that 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole has 1 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-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole?
The CAS number of 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole is 333442-62-9.
What is the molecular formula of 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole?
The molecular formula of 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole is C14H10F2N2S.
What is the molecular weight of 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole?
The molecular weight of 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole is 276.05 g/mol.
Where can I buy 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole?
You can request a quote for 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,6-Difluoro-benzylsulfanyl)-1H-benzoimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.