2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide
TL;DR: 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide (CAS 540498-84-8) is a chemical compound with molecular formula C14H18BrN5OS and molecular weight 383.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide
Also Known As: IFLab1_005333, IDI1_010736, F1285-1603, 2-((4-AMINO-5-TERT-BUTYL-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(4-BROMOPHENYL)ACETAMIDE, 2-((4-amino-5-(tert-butyl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide
| Molecular Formula | C14H18BrN5OS |
|---|---|
| Molecular Weight | 383.04 g/mol |
| LogP | 2.7827 |
| Topological Polar Surface Area | 85.83 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 383.04153 |
| Heavy Atoms | 22 |
| Complexity | 662.863 |
Chemical Identifiers
| CAS Number | 540498-84-8 |
|---|---|
| SMILES | CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=CC=C(C=C2)Br |
Product Overview
2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide (CAS 540498-84-8), with molecular formula C14H18BrN5OS and molecular weight 383.04 g/mol. IUPAC: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-bromophenyl)acetamide.
Chemical Property Profile of 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide
Property Insights of 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide
The XLogP value of 2.7827 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide. The TPSA of 85.83 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide has 2 hydrogen bond donor(s) and 5 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 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide?
The CAS number of 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide is 540498-84-8.
What is the molecular formula of 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide?
The molecular formula of 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide is C14H18BrN5OS.
What is the molecular weight of 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide?
The molecular weight of 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide is 383.04 g/mol.
Where can I buy 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide?
You can request a quote for 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Amino-5-tert-butyl-4H-1,2,4-triazol-3-YL)thio)-N-(4-bromophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.