N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide
TL;DR: N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide (CAS 16628-59-4) is a chemical compound with molecular formula C14H8BrN3O3S and molecular weight 376.94696 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Also Known As: N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide, N-(6-bromobenzo[d]thiazol-2-yl)-4-nitrobenzamide, F0298-0095
Technical Specifications
| Molecular Formula | C14H8BrN3O3S |
| Molecular Weight | 376.94696 g/mol |
| XLogP | 4.1 |
| Topological Polar Surface Area (TPSA) | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 376.94696 Da |
| Heavy Atoms | 22 |
| Complexity | 440.0 |
| SMILES | C1=CC(=CC=C1C(=O)NC2=NC3=C(S2)C=C(C=C3)Br)[N+](=O)[O-] |
| InChIKey | VZYXNFHGECOPTF-UHFFFAOYSA-N |
Chemical Property Profile of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide
Property Insights of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide
The XLogP value of 4.1 indicates that N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide. Following Lipinski's Rule of Five, N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The CAS number of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 16628-59-4.
What is the molecular formula of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular formula of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide is C14H8BrN3O3S.
What is the molecular weight of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
The molecular weight of N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide is 376.94696 g/mol.
Where can I buy N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
You can request a quote for N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide?
Yes, CoreyChem provides custom synthesis services for N-(6-bromo-1,3-benzothiazol-2-yl)-4-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.