2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
TL;DR: 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 477332-62-0) is a chemical compound with molecular formula C15H12BrN5OS and molecular weight 388.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: 2-((4-(4-Bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)acetamide, 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide, 2-((4-(4-BROMOPHENYL)-5-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)ACETAMIDE, 2-{[4-(4-bromophenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-{[4-(4-bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]thio}acetamide
| Molecular Formula | C15H12BrN5OS |
|---|---|
| Molecular Weight | 388.99 g/mol |
| LogP | 2.6692 |
| Topological Polar Surface Area | 86.69 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.9946 |
| Heavy Atoms | 23 |
| Complexity | 819.64343 |
Chemical Identifiers
| CAS Number | 477332-62-0 |
|---|---|
| SMILES | C1=CC(=CN=C1)C2=NN=C(N2C3=CC=C(C=C3)Br)SCC(=O)N |
Product Overview
2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide (CAS 477332-62-0), with molecular formula C15H12BrN5OS and molecular weight 388.99 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
Property Insights of 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide
The XLogP value of 2.6692 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide. The TPSA of 86.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide. Following Lipinski's Rule of Five, 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide has 1 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-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The CAS number of 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 477332-62-0.
What is the molecular formula of 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular formula of 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is C15H12BrN5OS.
What is the molecular weight of 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
The molecular weight of 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide is 388.99 g/mol.
Where can I buy 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
You can request a quote for 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)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-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-(4-Bromophenyl)-5-(3-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.