![1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone structure](/static/products/868/868214-53-3.png)
1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone
TL;DR: 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone (CAS 868214-53-3) is a chemical compound with molecular formula C15H9BrN2O3S2 and molecular weight 407.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-bromophenyl)-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
Also Known As: AB00675824-01, 1-(4-bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone, 1-(4-bromophenyl)-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethan-1-one, F1794-0022, 1-(4-bromophenyl)-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone
| Molecular Formula | C15H9BrN2O3S2 |
|---|---|
| Molecular Weight | 407.92 g/mol |
| LogP | 4.942 |
| Topological Polar Surface Area | 73.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 407.9238 |
| Heavy Atoms | 23 |
| Complexity | 893.3783 |
Chemical Identifiers
| CAS Number | 868214-53-3 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-])Br |
Product Overview
1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone (CAS 868214-53-3), with molecular formula C15H9BrN2O3S2 and molecular weight 407.92 g/mol. IUPAC: 1-(4-bromophenyl)-2-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]ethanone.
Chemical Property Profile of 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone
Property Insights of 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone
The XLogP value of 4.942 indicates that 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 73.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone. Following Lipinski's Rule of Five, 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone has 0 hydrogen bond donor(s) and 6 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 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone?
The CAS number of 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone is 868214-53-3.
What is the molecular formula of 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone?
The molecular formula of 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone is C15H9BrN2O3S2.
What is the molecular weight of 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone?
The molecular weight of 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone is 407.92 g/mol.
Where can I buy 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone?
You can request a quote for 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Bromophenyl)-2-((5-nitrobenzo[d]thiazol-2-yl)thio)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.