![N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide structure](/static/products/3510/351061-72-8.webp)
N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
TL;DR: N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 351061-72-8) is a chemical compound with molecular formula C12H10BrF3N4OS and molecular weight 393.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[4-bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide, A2333/0098446, N-[4-bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, Acetamide, N-(4-bromo-2-trifluoromethylphenyl)-2-(4-methyl-4H-1,2,4-triazo-3-ylthio)-, N-(4-bromo-2-(trifluoromethyl)phenyl)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetamide
| Molecular Formula | C12H10BrF3N4OS |
|---|---|
| Molecular Weight | 393.97 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 393.97107 |
| Heavy Atoms | 22 |
| Complexity | 401.0 |
Chemical Identifiers
| CAS Number | 351061-72-8 |
|---|---|
| SMILES | CN1C=NN=C1SCC(=O)NC2=C(C=C(C=C2)Br)C(F)(F)F |
| InChIKey | YGLXDVDVSGWTSB-UHFFFAOYSA-N |
Product Overview
N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide (CAS 351061-72-8), with molecular formula C12H10BrF3N4OS and molecular weight 393.97 g/mol. IUPAC: N-[4-bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
Property Insights of N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide. Following Lipinski's Rule of Five, N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide has 1 hydrogen bond donor(s) and 7 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-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The CAS number of N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide is 351061-72-8.
What is the molecular formula of N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The molecular formula of N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide is C12H10BrF3N4OS.
What is the molecular weight of N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
The molecular weight of N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide is 393.97 g/mol.
Where can I buy N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
You can request a quote for N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[4-Bromo-2-(trifluoromethyl)phenyl]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.