2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole
TL;DR: 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole (CAS 157609-68-2) is a chemical compound with molecular formula C14H7F5N2S and molecular weight 330.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-1H-benzimidazole
Also Known As: NCI60_025435, 2-(2,3,4,5,6-PENTAFLUORO-BENZYLSULFANYL)-1H-BENZOIMIDAZOLE, 2-(perfluorobenzylthio)-3aH-benzo[d]imidazole, Benzimidazole, 2-(2,3,4,5,6-pentafluorobenzylthio)-, 1H-Benzimidazol-2-yl 2,3,4,5,6-pentafluorobenzyl sulfide
| Molecular Formula | C14H7F5N2S |
|---|---|
| Molecular Weight | 330.03 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 3 |
| Exact Mass | 330.02502 |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 157609-68-2 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC3=C(C(=C(C(=C3F)F)F)F)F |
| InChIKey | LXTKQRJZROGECH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole (CAS 157609-68-2), with molecular formula C14H7F5N2S and molecular weight 330.03 g/mol. IUPAC: 2-[(2,3,4,5,6-pentafluorophenyl)methylsulfanyl]-1H-benzimidazole.
Chemical Property Profile of 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole
Property Insights of 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole
The XLogP value of 4.3 indicates that 2-(2,3,4,5,6-Pentafluoro-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-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole has 1 hydrogen bond donor(s) and 7 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-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole?
The CAS number of 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole is 157609-68-2.
What is the molecular formula of 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole?
The molecular formula of 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole is C14H7F5N2S.
What is the molecular weight of 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole?
The molecular weight of 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole is 330.03 g/mol.
Where can I buy 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole?
You can request a quote for 2-(2,3,4,5,6-Pentafluoro-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-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(2,3,4,5,6-Pentafluoro-benzylsulfanyl)-1H-benzoimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.