2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide
TL;DR: 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide (CAS 900273-65-6) is a chemical compound with molecular formula C21H20ClFN4O2S and molecular weight 446.09796 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide
Also Known As: 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide, 2-({5-[(4-chlorophenoxy)methyl]-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-fluoro-4-methylphenyl)acetamide, 2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-fluoro-4-methylphenyl)acetamide, 2-{[5-(4-chlorophenoxymethyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(3-fluoro-4-methylphenyl)acetamide, 2-{5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl(1,2,4-triazol-3-ylthio)}-N-(3-flu oro-4-methylphenyl)acetamide
Technical Specifications
| Molecular Formula | C21H20ClFN4O2S |
| Molecular Weight | 446.09796 g/mol |
| XLogP | 4.5 |
| Topological Polar Surface Area (TPSA) | 94.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 446.09796 Da |
| Heavy Atoms | 30 |
| Complexity | 567.0 |
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NN=C(N2CC=C)COC3=CC=C(C=C3)Cl)F |
| InChIKey | ZQUPEZIFYVAVRI-UHFFFAOYSA-N |
Chemical Property Profile of 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide
Property Insights of 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide
The XLogP value of 4.5 indicates that 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide. Following Lipinski's Rule of Five, 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)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-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide?
The CAS number of 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide is 900273-65-6.
What is the molecular formula of 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide?
The molecular formula of 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide is C21H20ClFN4O2S.
What is the molecular weight of 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide?
The molecular weight of 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide is 446.09796 g/mol.
Where can I buy 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide?
You can request a quote for 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide?
Yes, CoreyChem provides custom synthesis services for 2-((4-allyl-5-((4-chlorophenoxy)methyl)-4H-1,2,4-triazol-3-yl)thio)-N-(3-fluoro-4-methylphenyl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.