2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole
TL;DR: 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole (CAS 428846-20-2) is a chemical compound with molecular formula C15H13FN2OS and molecular weight 288.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-fluorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole
Also Known As: 2-[(4-fluorobenzyl)thio]-5-methoxy-1H-benzimidazole, 2-[(4-fluorophenyl)methylthio]-5-methoxybenzimidazole, 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole, 2-[(4-fluorobenzyl)sulfanyl]-5-methoxy-1h-benzimidazole, 2-[(4-fluorobenzyl)sulfanyl]-6-methoxy-1H-benzimidazole
| Molecular Formula | C15H13FN2OS |
|---|---|
| Molecular Weight | 288.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 63.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 288.07327 |
| Heavy Atoms | 20 |
| Complexity | 312.0 |
Chemical Identifiers
| CAS Number | 428846-20-2 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(N2)SCC3=CC=C(C=C3)F |
| InChIKey | ZTUVOSWRFAGPBC-UHFFFAOYSA-N |
Product Overview
2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole (CAS 428846-20-2), with molecular formula C15H13FN2OS and molecular weight 288.07 g/mol. IUPAC: 2-[(4-fluorophenyl)methylsulfanyl]-6-methoxy-1H-benzimidazole.
Chemical Property Profile of 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole
Property Insights of 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole
The XLogP value of 3.9 indicates that 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole. Following Lipinski's Rule of Five, 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-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-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole?
The CAS number of 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole is 428846-20-2.
What is the molecular formula of 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole?
The molecular formula of 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole is C15H13FN2OS.
What is the molecular weight of 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole?
The molecular weight of 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole is 288.07 g/mol.
Where can I buy 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole?
You can request a quote for 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-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-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Fluoro-benzylsulfanyl)-5-methoxy-1H-benzoimidazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.