![N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide structure](/static/products/3923/392302-77-1.webp)
N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
TL;DR: N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide (CAS 392302-77-1) is a chemical compound with molecular formula C17H14BrN3OS2 and molecular weight 418.98 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-methylbenzamide
Also Known As: N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide, AN-465/41995318, N-(5-((4-bromobenzyl)thio)-1,3,4-thiadiazol-2-yl)-3-methylbenzamide, F0417-1891, N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide
| Molecular Formula | C17H14BrN3OS2 |
|---|---|
| Molecular Weight | 418.98 g/mol |
| LogP | 5.15362 |
| Topological Polar Surface Area | 54.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.97617 |
| Heavy Atoms | 24 |
| Complexity | 849.0518 |
Chemical Identifiers
| CAS Number | 392302-77-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)Br |
Product Overview
N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide (CAS 392302-77-1), with molecular formula C17H14BrN3OS2 and molecular weight 418.98 g/mol. IUPAC: N-[5-[(4-bromophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-3-methylbenzamide.
Chemical Property Profile of N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
Property Insights of N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide
The XLogP value of 5.15362 indicates that N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.88 Ų, N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide has 1 hydrogen bond donor(s) and 5 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)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide?
The CAS number of N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide is 392302-77-1.
What is the molecular formula of N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide?
The molecular formula of N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide is C17H14BrN3OS2.
What is the molecular weight of N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide?
The molecular weight of N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide is 418.98 g/mol.
Where can I buy N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide?
You can request a quote for N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide 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)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{5-[(4-bromobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-3-methylbenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.