![N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/5780/578000-83-6.webp)
N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 578000-83-6) is a chemical compound with molecular formula C16H17BrN4OS and molecular weight 392.03064 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(4-bromophenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-allyl-5-cyclopropyl-4H-1,2,4-triazol-3-yl)thio)-N-(4-bromophenyl)acetamide, N-(4-bromophenyl)-2-(5-cyclopropyl-4-prop-2-enyl(1,2,4-triazol-3-ylthio))aceta mide, N-(4-bromophenyl)-2-[(5-cyclopropyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide, 2-[(4-ALLYL-5-CYCLOPROPYL-4H-1,2,4-TRIAZOL-3-YL)SULFANYL]-N-(4-BROMOPHENYL)ACETAMIDE
Technical Specifications
| Molecular Formula | C16H17BrN4OS |
| Molecular Weight | 392.03064 g/mol |
| XLogP | 3.2 |
| Topological Polar Surface Area (TPSA) | 85.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 392.03064 Da |
| Heavy Atoms | 23 |
| Complexity | 426.0 |
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)Br)C3CC3 |
| InChIKey | XPECCQDJWHCOKQ-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 3.2 indicates that N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.1 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 578000-83-6.
What is the molecular formula of N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C16H17BrN4OS.
What is the molecular weight of N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 392.03064 g/mol.
Where can I buy N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, CoreyChem provides custom synthesis services for N-(4-bromophenyl)-2-{[5-cyclopropyl-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.