2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone
TL;DR: 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone (CAS 326003-66-1) is a chemical compound with molecular formula C10H9BrN4OS and molecular weight 311.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone
Also Known As: 2-((5-AMINO-1H-1,2,4-TRIAZOL-3-YL)THIO)-1-(4-BROMOPHENYL)ETHANONE, 2-[(3-amino-1H-1,2,4-triazol-5-yl)sulfanyl]-1-(4-bromophenyl)ethanone, 2-((5-amino-4H-1,2,4-triazol-3-yl)thio)-1-(4-bromophenyl)ethanone, 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone, 2-[(5-amino-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethan-1-one
| Molecular Formula | C10H9BrN4OS |
|---|---|
| Molecular Weight | 311.97 g/mol |
| LogP | 2.1244 |
| Topological Polar Surface Area | 84.66 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 311.96805 |
| Heavy Atoms | 17 |
| Complexity | 525.3571 |
Chemical Identifiers
| CAS Number | 326003-66-1 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=O)CSC2=NNC(=N2)N)Br |
Product Overview
2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone (CAS 326003-66-1), with molecular formula C10H9BrN4OS and molecular weight 311.97 g/mol. IUPAC: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-1-(4-bromophenyl)ethanone.
Chemical Property Profile of 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone
Property Insights of 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone
The XLogP value of 2.1244 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone. The TPSA of 84.66 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone. Following Lipinski's Rule of Five, 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone 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-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone?
The CAS number of 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone is 326003-66-1.
What is the molecular formula of 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone?
The molecular formula of 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone is C10H9BrN4OS.
What is the molecular weight of 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone?
The molecular weight of 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone is 311.97 g/mol.
Where can I buy 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone?
You can request a quote for 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-Amino-1H-1,2,4-triazol-3-YL)thio)-1-(4-bromophenyl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.