![2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide structure](/static/products/4773/477331-02-5.webp)
2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
TL;DR: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide (CAS 477331-02-5) is a chemical compound with molecular formula C21H14BrCl2N5OS and molecular weight 532.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide
Also Known As: 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide, 2-((4-(4-Bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3,5-dichlorophenyl)acetamide, 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide, 2-{[4-(4-BROMOPHENYL)-5-(4-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N-(3,5-DICHLOROPHENYL)ACETAMIDE, 2-((4-(4-Bromophenyl)-5-(4-pyridinyl)-4H-1,2,4-triazol-3-YL)sulfanyl)-N-(3,5-dichlorophenyl)acetamide
| Molecular Formula | C21H14BrCl2N5OS |
|---|---|
| Molecular Weight | 532.95 g/mol |
| LogP | 6.1294 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 532.94794 |
| Heavy Atoms | 31 |
| Complexity | 1198.1846 |
Chemical Identifiers
| CAS Number | 477331-02-5 |
|---|---|
| SMILES | C1=CC(=CC=C1N2C(=NN=C2SCC(=O)NC3=CC(=CC(=C3)Cl)Cl)C4=CC=NC=C4)Br |
Product Overview
2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide (CAS 477331-02-5), with molecular formula C21H14BrCl2N5OS and molecular weight 532.95 g/mol. IUPAC: 2-[[4-(4-bromophenyl)-5-pyridin-4-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(3,5-dichlorophenyl)acetamide.
Chemical Property Profile of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
Property Insights of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide
The XLogP value of 6.1294 indicates that 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide. Following Lipinski's Rule of Five, 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide?
The CAS number of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide is 477331-02-5.
What is the molecular formula of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide?
The molecular formula of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide is C21H14BrCl2N5OS.
What is the molecular weight of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide?
The molecular weight of 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide is 532.95 g/mol.
Where can I buy 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide?
You can request a quote for 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)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-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4-(4-bromophenyl)-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3,5-dichlorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.