N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide
TL;DR: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide (CAS 392302-95-3) is a chemical compound with molecular formula C20H20BrN3O2S2 and molecular weight 477.02 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-butoxybenzamide
Also Known As: F0417-1909, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide, N-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide, N-{5-[(p-bromophenyl)methylthio]-1,3,4-thiadiazol-2-yl}p-butoxybenzamide
| Molecular Formula | C20H20BrN3O2S2 |
|---|---|
| Molecular Weight | 477.02 g/mol |
| LogP | 6.0241 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 477.01804 |
| Heavy Atoms | 28 |
| Complexity | 898.5741 |
Chemical Identifiers
| CAS Number | 392302-95-3 |
|---|---|
| SMILES | CCCCOC1=CC=C(C=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br |
Product Overview
N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide (CAS 392302-95-3), with molecular formula C20H20BrN3O2S2 and molecular weight 477.02 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-4-butoxybenzamide.
Chemical Property Profile of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide
Property Insights of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide
The XLogP value of 6.0241 indicates that N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide. Following Lipinski's Rule of Five, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide has 1 hydrogen bond donor(s) and 6 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-butoxybenzamide?
The CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide is 392302-95-3.
What is the molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide?
The molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide is C20H20BrN3O2S2.
What is the molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide?
The molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide is 477.02 g/mol.
Where can I buy N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide?
You can request a quote for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide 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-butoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-4-butoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.