2-(4-Bromophenyl)benzothiazole
TL;DR: 2-(4-Bromophenyl)benzothiazole (CAS 19654-14-9) is a chemical compound with molecular formula C13H8BrNS and molecular weight 288.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-bromophenyl)-1,3-benzothiazole
Also Known As: 2-(4-Bromophenyl)benzothiazole, 2-(4-bromophenyl)benzo[d]thiazole, 2-(4-bromophenyl)-1,3-benzothiazole, 1-(2-Benzothiazolyl)-4-bromobenzene, 2-(4-Bromo-phenyl)-benzothiazole
| Molecular Formula | C13H8BrNS |
|---|---|
| Molecular Weight | 288.96 g/mol |
| LogP | 4.7258 |
| Topological Polar Surface Area | 12.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 288.9561 |
| Heavy Atoms | 16 |
| Complexity | 594.73254 |
Chemical Identifiers
| CAS Number | 19654-14-9 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)C3=CC=C(C=C3)Br |
Product Overview
2-(4-Bromophenyl)benzothiazole (CAS 19654-14-9), with molecular formula C13H8BrNS and molecular weight 288.96 g/mol. IUPAC: 2-(4-bromophenyl)-1,3-benzothiazole.
Chemical Property Profile of 2-(4-Bromophenyl)benzothiazole
Property Insights of 2-(4-Bromophenyl)benzothiazole
The XLogP value of 4.7258 indicates that 2-(4-Bromophenyl)benzothiazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.89 Ų, 2-(4-Bromophenyl)benzothiazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(4-Bromophenyl)benzothiazole has 0 hydrogen bond donor(s) and 2 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-Bromophenyl)benzothiazole?
The CAS number of 2-(4-Bromophenyl)benzothiazole is 19654-14-9.
What is the molecular formula of 2-(4-Bromophenyl)benzothiazole?
The molecular formula of 2-(4-Bromophenyl)benzothiazole is C13H8BrNS.
What is the molecular weight of 2-(4-Bromophenyl)benzothiazole?
The molecular weight of 2-(4-Bromophenyl)benzothiazole is 288.96 g/mol.
Where can I buy 2-(4-Bromophenyl)benzothiazole?
You can request a quote for 2-(4-Bromophenyl)benzothiazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Bromophenyl)benzothiazole?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Bromophenyl)benzothiazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.