![N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide structure](/static/products/5315/531540-30-4.webp)
N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide
TL;DR: N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide (CAS 531540-30-4) is a chemical compound with molecular formula C21H20BrN3O2S2 and molecular weight 489.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide
Also Known As: N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide, N-{5-[(3-acetyl-2,4,6-trimethylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-2-bromobenzamide, N-(5-{[(3-ACETYL-2,4,6-TRIMETHYLPHENYL)METHYL]SULFANYL}-1,3,4-THIADIAZOL-2-YL)-2-BROMOBENZAMIDE, N-[5-[(3-acetyl-2,4,6-trimethyl-phenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromo-benzamide
| Molecular Formula | C21H20BrN3O2S2 |
|---|---|
| Molecular Weight | 489.02 g/mol |
| LogP | 5.97306 |
| Topological Polar Surface Area | 71.95 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 489.01804 |
| Heavy Atoms | 29 |
| Complexity | 1095.5254 |
Chemical Identifiers
| CAS Number | 531540-30-4 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1CSC2=NN=C(S2)NC(=O)C3=CC=CC=C3Br)C)C(=O)C)C |
Product Overview
N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide (CAS 531540-30-4), with molecular formula C21H20BrN3O2S2 and molecular weight 489.02 g/mol. IUPAC: N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide.
Chemical Property Profile of N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide
Property Insights of N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide
The XLogP value of 5.97306 indicates that N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.95 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide. Following Lipinski's Rule of Five, N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide 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-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide?
The CAS number of N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide is 531540-30-4.
What is the molecular formula of N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide?
The molecular formula of N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide is C21H20BrN3O2S2.
What is the molecular weight of N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide?
The molecular weight of N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide is 489.02 g/mol.
Where can I buy N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide?
You can request a quote for N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-[5-[(3-acetyl-2,4,6-trimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-2-bromobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.