N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide
TL;DR: N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide (CAS 121189-76-2) is a chemical compound with molecular formula C14H9BrN2OS and molecular weight 331.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzothiazol-2-yl)-2-bromobenzamide
Also Known As: N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide, Benzamide, N-2-benzothiazolyl-2-bromo-, 2-(2-Bromobenzoylamino)benzothiazole, n-(benzo[d]thiazol-2-yl)-2-bromobenzamide, N-[Benzo[d]thiazol-2-yl]-2-bromobenzamide
| Molecular Formula | C14H9BrN2OS |
|---|---|
| Molecular Weight | 331.96 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 70.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 331.9619 |
| Heavy Atoms | 19 |
| Complexity | 341.0 |
Chemical Identifiers
| CAS Number | 121189-76-2 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=NC3=CC=CC=C3S2)Br |
| InChIKey | KIRDIYGBKFSZHS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide (CAS 121189-76-2), with molecular formula C14H9BrN2OS and molecular weight 331.96 g/mol. IUPAC: N-(1,3-benzothiazol-2-yl)-2-bromobenzamide.
Chemical Property Profile of N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide
Property Insights of N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide
The XLogP value of 4.2 indicates that N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.2 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide. Following Lipinski's Rule of Five, N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide 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 N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide?
The CAS number of N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide is 121189-76-2.
What is the molecular formula of N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide?
The molecular formula of N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide is C14H9BrN2OS.
What is the molecular weight of N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide?
The molecular weight of N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide is 331.96 g/mol.
Where can I buy N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide?
You can request a quote for N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzothiazol-2-yl)-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.