N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
TL;DR: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide (CAS 392303-04-7) is a chemical compound with molecular formula C19H18BrN3O4S2 and molecular weight 494.99 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]-3,4,5-trimethoxybenzamide
Also Known As: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide, F0417-1925, N-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-benzamide
| Molecular Formula | C19H18BrN3O4S2 |
|---|---|
| Molecular Weight | 494.99 g/mol |
| LogP | 4.871 |
| Topological Polar Surface Area | 82.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 494.99222 |
| Heavy Atoms | 29 |
| Complexity | 970.3694 |
Chemical Identifiers
| CAS Number | 392303-04-7 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)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)-3,4,5-trimethoxybenzamide (CAS 392303-04-7), with molecular formula C19H18BrN3O4S2 and molecular weight 494.99 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxybenzamide.
Chemical Property Profile of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
Property Insights of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide
The XLogP value of 4.871 indicates that N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.57 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide. Following Lipinski's Rule of Five, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide has 1 hydrogen bond donor(s) and 8 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)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
The CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide is 392303-04-7.
What is the molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
The molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide is C19H18BrN3O4S2.
What is the molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
The molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide is 494.99 g/mol.
Where can I buy N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide?
You can request a quote for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide 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)-3,4,5-trimethoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.