2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide
TL;DR: 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide (CAS 618441-06-8) is a chemical compound with molecular formula C21H23N5OS and molecular weight 393.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-yl-N-pyridin-4-ylacetamide
Also Known As: 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide, 2-[(4-allyl-5-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-isopropyl-N-(4-pyridinyl)acetamide, 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-YL)sulfanyl)-N-isopropyl-N-(4-pyridinyl)acetamide, 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-yl-N-pyridin-4-yl-acetamide, 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-yl-N-pyridin-4-ylacetamide
| Molecular Formula | C21H23N5OS |
|---|---|
| Molecular Weight | 393.16 g/mol |
| LogP | 4.0598 |
| Topological Polar Surface Area | 63.91 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 393.16232 |
| Heavy Atoms | 28 |
| Complexity | 924.4837 |
Chemical Identifiers
| CAS Number | 618441-06-8 |
|---|---|
| SMILES | CC(C)N(C1=CC=NC=C1)C(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=C3 |
Product Overview
2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide (CAS 618441-06-8), with molecular formula C21H23N5OS and molecular weight 393.16 g/mol. IUPAC: 2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-propan-2-yl-N-pyridin-4-ylacetamide.
Chemical Property Profile of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide
Property Insights of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide
The XLogP value of 4.0598 indicates that 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide. Following Lipinski's Rule of Five, 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide has 0 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-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide?
The CAS number of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide is 618441-06-8.
What is the molecular formula of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide?
The molecular formula of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide is C21H23N5OS.
What is the molecular weight of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide?
The molecular weight of 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide is 393.16 g/mol.
Where can I buy 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide?
You can request a quote for 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)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-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide?
Yes, KEHONG BIO provides custom synthesis services for 2-((4-Allyl-5-phenyl-4H-1,2,4-triazol-3-yl)thio)-N-isopropyl-N-(pyridin-4-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.