4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-
TL;DR: 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)- (CAS 116850-59-0) is a chemical compound with molecular formula C14H13N3O2S and molecular weight 287.07285 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
4-methyl-3-methylsulfonyl-5-naphthalen-2-yl-1,2,4-triazole
Also Known As: 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-, 4-Methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-4H-1,2,4-triazole, 4-methyl-3-methylsulfonyl-5-naphthalen-2-yl-1,2,4-triazole, 4-Methyl-3-(methylsulfonyl)-5-(naphthalen-2-yl)-4H-1,2,4-triazole, 4H-1,2,4-Triazole,4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-
Technical Specifications
| Molecular Formula | C14H13N3O2S |
| Molecular Weight | 287.07285 g/mol |
| XLogP | 1.9 |
| Topological Polar Surface Area (TPSA) | 73.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 287.07285 Da |
| Heavy Atoms | 20 |
| Complexity | 448.0 |
| SMILES | CN1C(=NN=C1S(=O)(=O)C)C2=CC3=CC=CC=C3C=C2 |
| InChIKey | OTAKPFNZTKFBOY-UHFFFAOYSA-N |
Chemical Property Profile of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-
Property Insights of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-. The TPSA of 73.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)- has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-?
The CAS number of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)- is 116850-59-0.
What is the molecular formula of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-?
The molecular formula of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)- is C14H13N3O2S.
What is the molecular weight of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-?
The molecular weight of 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)- is 287.07285 g/mol.
Where can I buy 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-?
You can request a quote for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)- directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)-?
Yes, CoreyChem provides custom synthesis services for 4H-1,2,4-Triazole, 4-methyl-3-(methylsulfonyl)-5-(2-naphthalenyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.