![2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide structure](/static/products/896/896287-93-7.png)
2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
TL;DR: 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide (CAS 896287-93-7) is a chemical compound with molecular formula C16H16FN5OS and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
Also Known As: 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide, F2563-0082, 2-((5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(2-fluorophenyl)acetamide, 2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide
| Molecular Formula | C16H16FN5OS |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.8233 |
| Topological Polar Surface Area | 64.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 345.10596 |
| Heavy Atoms | 24 |
| Complexity | 830.8727 |
Chemical Identifiers
| CAS Number | 896287-93-7 |
|---|---|
| SMILES | CCC1=NN=C(N1N2C=CC=C2)SCC(=O)NC3=CC=CC=C3F |
Product Overview
2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide (CAS 896287-93-7), with molecular formula C16H16FN5OS and molecular weight 345.11 g/mol. IUPAC: 2-[(5-ethyl-4-pyrrol-1-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(2-fluorophenyl)acetamide.
Chemical Property Profile of 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
Property Insights of 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide
The XLogP value of 2.8233 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide. The TPSA of 64.74 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide. Following Lipinski's Rule of Five, 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)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
Frequently Asked Questions
What is the CAS number of 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
The CAS number of 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide is 896287-93-7.
What is the molecular formula of 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
The molecular formula of 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide is C16H16FN5OS.
What is the molecular weight of 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
The molecular weight of 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide is 345.11 g/mol.
Where can I buy 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
You can request a quote for 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-ethyl-4-(1H-pyrrol-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-fluorophenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.