2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone
TL;DR: 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone (CAS 21547-82-0) is a chemical compound with molecular formula C15H11BrN2OS and molecular weight 345.98 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-bromophenyl)ethanone
Also Known As: BAS 00533512, 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone, (Benzimidazol-2-ylthiomethyl)-(4-bromophenyl)-ketone, 2-(1H-1,3-benzodiazol-2-ylsulfanyl)-1-(4-bromophenyl)ethan-1-one, 2-benzimidazol-2-ylthio-1-(4-bromophenyl)ethan-1-one
| Molecular Formula | C15H11BrN2OS |
|---|---|
| Molecular Weight | 345.98 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 71.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.97754 |
| Heavy Atoms | 20 |
| Complexity | 347.0 |
Chemical Identifiers
| CAS Number | 21547-82-0 |
|---|---|
| SMILES | C1=CC=C2C(=C1)NC(=N2)SCC(=O)C3=CC=C(C=C3)Br |
| InChIKey | MZWHCEWSSISORO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone (CAS 21547-82-0), with molecular formula C15H11BrN2OS and molecular weight 345.98 g/mol. IUPAC: 2-(1H-benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone.
Chemical Property Profile of 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone
Property Insights of 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone
The XLogP value of 4.4 indicates that 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)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-ylsulfanyl)-1-(4-bromophenyl)ethanone. Following Lipinski's Rule of Five, 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone has 1 hydrogen bond donor(s) and 3 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-ylsulfanyl)-1-(4-bromophenyl)ethanone?
The CAS number of 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone is 21547-82-0.
What is the molecular formula of 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone?
The molecular formula of 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone is C15H11BrN2OS.
What is the molecular weight of 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone?
The molecular weight of 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone is 345.98 g/mol.
Where can I buy 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone?
You can request a quote for 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)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-ylsulfanyl)-1-(4-bromophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-(1H-Benzimidazol-2-ylsulfanyl)-1-(4-bromophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.