N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide
TL;DR: N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide (CAS 733788-35-7) is a chemical compound with molecular formula C27H23N5O3S and molecular weight 497.15216 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-[4-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxochromen-7-yl]acetamide
Also Known As: N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide, N-[4-({[4-(2,4-dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-2-oxo-2H-chromen-7-yl]acetamide, N-[4-[[4-(2,4-dimethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanylmethyl]-2-oxochromen-7-yl]acetamide
Technical Specifications
| Molecular Formula | C27H23N5O3S |
| Molecular Weight | 497.15216 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 124.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 497.15216 Da |
| Heavy Atoms | 36 |
| Complexity | 840.0 |
| SMILES | CC1=CC(=C(C=C1)N2C(=NN=C2SCC3=CC(=O)OC4=C3C=CC(=C4)NC(=O)C)C5=CN=CC=C5)C |
| InChIKey | JVWQGUZYJQUFLY-UHFFFAOYSA-N |
Chemical Property Profile of N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide
Property Insights of N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide
The XLogP value of 3.5 indicates that N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide. Following Lipinski's Rule of Five, N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide?
The CAS number of N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide is 733788-35-7.
What is the molecular formula of N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide?
The molecular formula of N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide is C27H23N5O3S.
What is the molecular weight of N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide?
The molecular weight of N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide is 497.15216 g/mol.
Where can I buy N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide?
You can request a quote for N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide?
Yes, CoreyChem provides custom synthesis services for N-(4-(((4-(2,4-Dimethylphenyl)-5-(pyridin-3-yl)-4H-1,2,4-triazol-3-yl)thio)methyl)-2-oxo-2H-chromen-7-yl)acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.