N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide
TL;DR: N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide (CAS 335420-50-3) is a chemical compound with molecular formula C13H8BrN3OS and molecular weight 332.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide
Also Known As: DivK1c_004697, CDS1_003657, N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide, BAS 02243176, BIM-0010948.P001
| Molecular Formula | C13H8BrN3OS |
|---|---|
| Molecular Weight | 332.96 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 332.95715 |
| Heavy Atoms | 19 |
| Complexity | 344.0 |
Chemical Identifiers
| CAS Number | 335420-50-3 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C(=O)NC2=CC=CC3=NSN=C32)Br |
| InChIKey | WGUJSUYNRPDZSG-UHFFFAOYSA-N |
Product Overview
N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide (CAS 335420-50-3), with molecular formula C13H8BrN3OS and molecular weight 332.96 g/mol. IUPAC: N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide.
Chemical Property Profile of N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide
Property Insights of N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide
The XLogP value of 3.3 indicates that N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide. Following Lipinski's Rule of Five, N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide 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 N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide?
The CAS number of N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide is 335420-50-3.
What is the molecular formula of N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide?
The molecular formula of N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide is C13H8BrN3OS.
What is the molecular weight of N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide?
The molecular weight of N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide is 332.96 g/mol.
Where can I buy N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide?
You can request a quote for N-(2,1,3-benzothiadiazol-4-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-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(2,1,3-benzothiadiazol-4-yl)-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.