N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
TL;DR: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide (CAS 392302-83-9) is a chemical compound with molecular formula C17H14BrN3O2S2 and molecular weight 434.97 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-methoxybenzamide
Also Known As: N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide, F0417-1897, N-(5-{[(4-bromophenyl)methyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methoxy-benzamide
| Molecular Formula | C17H14BrN3O2S2 |
|---|---|
| Molecular Weight | 434.97 g/mol |
| LogP | 4.8538 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 434.97107 |
| Heavy Atoms | 25 |
| Complexity | 868.33936 |
Chemical Identifiers
| CAS Number | 392302-83-9 |
|---|---|
| SMILES | COC1=CC=CC(=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)-3-methoxybenzamide (CAS 392302-83-9), with molecular formula C17H14BrN3O2S2 and molecular weight 434.97 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methoxybenzamide.
Chemical Property Profile of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
Property Insights of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide
The XLogP value of 4.8538 indicates that N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide 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)-3-methoxybenzamide. Following Lipinski's Rule of Five, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide has 1 hydrogen bond donor(s) and 6 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-methoxybenzamide?
The CAS number of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide is 392302-83-9.
What is the molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide?
The molecular formula of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide is C17H14BrN3O2S2.
What is the molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide?
The molecular weight of N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide is 434.97 g/mol.
Where can I buy N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide?
You can request a quote for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide 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-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.