2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide
TL;DR: 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide (CAS 586990-99-0) 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-(3-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: N-(3-fluorophenyl)-2-{[4-(prop-2-en-1-yl)-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide, 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluorophenyl)acetamide, 2-((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)THIO)-N-(3-F-PH)ACETAMIDE, N-(3-fluorophenyl)-2-(4-prop-2-enyl-5-(2-pyridyl)(1,2,4-triazol-3-ylthio))acet amide, 637-453-4
| Molecular Formula | C18H16FN5OS |
|---|---|
| Molecular Weight | 369.11 g/mol |
| LogP | 3.396 |
| Topological Polar Surface Area | 72.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 369.10596 |
| Heavy Atoms | 26 |
| Complexity | 912.9547 |
Chemical Identifiers
| CAS Number | 586990-99-0 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NC2=CC(=CC=C2)F)C3=CC=CC=N3 |
Product Overview
2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide (CAS 586990-99-0), with molecular formula C18H16FN5OS and molecular weight 369.11 g/mol. IUPAC: N-(3-fluorophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide
Property Insights of 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide
The XLogP value of 3.396 indicates that 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)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-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide. Following Lipinski's Rule of Five, 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)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-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide?
The CAS number of 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide is 586990-99-0.
What is the molecular formula of 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide?
The molecular formula of 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide is C18H16FN5OS.
What is the molecular weight of 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide?
The molecular weight of 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide is 369.11 g/mol.
Where can I buy 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide?
You can request a quote for 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)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-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-YL)thio)-N-(3-F-PH)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.