2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide
TL;DR: 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide (CAS 618880-20-9) is a chemical compound with molecular formula C22H26N6OS and molecular weight 422.18887 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-(diethylamino)phenyl]-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide, 2-{[4-allyl-5-(2-pyridinyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[4-(diethylamino)phenyl]acetamide, 2-((4-ALLYL-5-(2-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL)SULFANYL)-N-(4-(DIETHYLAMINO)PHENYL)ACETAMIDE, 637-440-3, N-(4-diethylaminophenyl)-2-[(4-prop-2-enyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Technical Specifications
| Molecular Formula | C22H26N6OS |
| Molecular Weight | 422.18887 g/mol |
| XLogP | 3.4 |
| Topological Polar Surface Area (TPSA) | 101.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 422.18887 Da |
| Heavy Atoms | 30 |
| Complexity | 538.0 |
| SMILES | CCN(CC)C1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)C3=CC=CC=N3 |
| InChIKey | UXVVXZCHAQDQLE-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide
Property Insights of 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide
The XLogP value of 3.4 indicates that 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)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
What is the CAS number of 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide?
The CAS number of 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide is 618880-20-9.
What is the molecular formula of 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide?
The molecular formula of 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide is C22H26N6OS.
What is the molecular weight of 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide?
The molecular weight of 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide is 422.18887 g/mol.
Where can I buy 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide?
You can request a quote for 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-((4-Allyl-5-(pyridin-2-yl)-4H-1,2,4-triazol-3-yl)thio)-N-(4-(diethylamino)phenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.