N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide
TL;DR: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide (CAS 391874-66-1) is a chemical compound with molecular formula C17H13BrN4O3S2 and molecular weight 463.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide
Also Known As: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide, F0470-0272, N-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitro-benzamide
| Molecular Formula | C17H13BrN4O3S2 |
|---|---|
| Molecular Weight | 463.96 g/mol |
| LogP | 5.06182 |
| Topological Polar Surface Area | 98.02 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 463.96124 |
| Heavy Atoms | 27 |
| Complexity | 992.0985 |
Chemical Identifiers
| CAS Number | 391874-66-1 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br)[N+](=O)[O-] |
Product Overview
N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide (CAS 391874-66-1), with molecular formula C17H13BrN4O3S2 and molecular weight 463.96 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-methyl-3-nitrobenzamide.
Chemical Property Profile of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide
Property Insights of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide
The XLogP value of 5.06182 indicates that N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 98.02 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide. Following Lipinski's Rule of Five, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide?
The CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide is 391874-66-1.
What is the molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide?
The molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide is C17H13BrN4O3S2.
What is the molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide?
The molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide is 463.96 g/mol.
Where can I buy N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide?
You can request a quote for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-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)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-methyl-3-nitrobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.