N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide
TL;DR: N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide (CAS 292056-92-9) is a chemical compound with molecular formula C17H12BrN3O3S and molecular weight 416.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide
Also Known As: BAS 01055336, N-(5-(4-BROMOBENZYL)-1,3-THIAZOL-2-YL)-3-NITROBENZAMIDE, N-{5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl}-3-nitrobenzamide, N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide, N-(5-(4-bromobenzyl)thiazol-2-yl)-3-nitrobenzamide
| Molecular Formula | C17H12BrN3O3S |
|---|---|
| Molecular Weight | 416.98 g/mol |
| LogP | 4.6569 |
| Topological Polar Surface Area | 85.13 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 416.97827 |
| Heavy Atoms | 25 |
| Complexity | 924.89734 |
Chemical Identifiers
| CAS Number | 292056-92-9 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C(=O)NC2=NC=C(S2)CC3=CC=C(C=C3)Br |
Product Overview
N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide (CAS 292056-92-9), with molecular formula C17H12BrN3O3S and molecular weight 416.98 g/mol. IUPAC: N-[5-[(4-bromophenyl)methyl]-1,3-thiazol-2-yl]-3-nitrobenzamide.
Chemical Property Profile of N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide
Property Insights of N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide
The XLogP value of 4.6569 indicates that N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.13 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-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
Frequently Asked Questions
What is the CAS number of N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide?
The CAS number of N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide is 292056-92-9.
What is the molecular formula of N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide?
The molecular formula of N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide is C17H12BrN3O3S.
What is the molecular weight of N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide?
The molecular weight of N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide is 416.98 g/mol.
Where can I buy N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide?
You can request a quote for N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-(4-Bromobenzyl)-1,3-thiazol-2-YL)-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.