![N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide structure](/static/products/4426/442632-54-4.webp)
N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
TL;DR: N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 442632-54-4) is a chemical compound with molecular formula C18H16FN5OS and molecular weight 369.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, A2704/0115045, 2-((4-allyl-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-fluorophenyl)acetamide, 2-(4-Allyl-5-pyridin-3-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-N-(4-fluoro-phenyl)-acetamide, 2-([4-Allyl-5-(3-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl)-N-(4-fluorophenyl)acetamide #
| Molecular Formula | C18H16FN5OS |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 98.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.10596 |
| Heavy Atoms | 26 |
| Complexity | 474.0 |
Chemical Identifiers
| CAS Number | 442632-54-4 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)F)C3=CN=CC=C3 |
| InChIKey | CXJWPEODCRVPOW-UHFFFAOYSA-N |
Product Overview
N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide (CAS 442632-54-4), with molecular formula C18H16FN5OS and molecular weight 369.11 g/mol. IUPAC: N-(4-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Property Insights of N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. The TPSA of 98.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide. Following Lipinski's Rule of Five, N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide has 1 hydrogen bond donor(s) and 6 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 N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The CAS number of N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 442632-54-4.
What is the molecular formula of N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular formula of N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is C18H16FN5OS.
What is the molecular weight of N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
The molecular weight of N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide is 369.11 g/mol.
Where can I buy N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
You can request a quote for N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-(4-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.