2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone
TL;DR: 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone (CAS 63529-32-8) is a chemical compound with molecular formula C15H11FN2OS and molecular weight 286.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-fluorophenyl)ethanone
Also Known As: 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone, 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-fluorophenyl)ethanone, ethanone, 2-(1h-benzimidazol-2-ylthio)-1-(4-fluorophenyl)-, 2-benzimidazol-2-ylthio-1-(4-fluorophenyl)ethan-1-one, Ethanone, 2-(2-benzimidazolylthio)-1-(4-fluorophenyl)-
| Molecular Formula | C15H11FN2OS |
|---|---|
| Molecular Weight | 286.06 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 286.05762 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 63529-32-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC=C(C=C3)F |
| InChIKey | RUYDNBJGEQMPJK-UHFFFAOYSA-N |
Product Overview
2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone (CAS 63529-32-8), with molecular formula C15H11FN2OS and molecular weight 286.06 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-fluorophenyl)ethanone.
Chemical Property Profile of 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone
Property Insights of 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone
The XLogP value of 3.8 indicates that 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone. Following Lipinski's Rule of Five, 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone 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-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone?
The CAS number of 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone is 63529-32-8.
What is the molecular formula of 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone?
The molecular formula of 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone is C15H11FN2OS.
What is the molecular weight of 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone?
The molecular weight of 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone is 286.06 g/mol.
Where can I buy 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone?
You can request a quote for 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Benzimidazol-2-ylthio)-1-(4-fluorophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.