4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-
TL;DR: 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl- (CAS 116850-66-9) is a chemical compound with molecular formula C11H12FN3O2S and molecular weight 269.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfonyl-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole
Also Known As: 3-(Ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole, 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-, 3-ethylsulfonyl-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole, 5-ethylthio-4-methyl-3-phenyl-4H-1,2,4-triazole, 3-(ethanesulfonyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole
| Molecular Formula | C11H12FN3O2S |
|---|---|
| Molecular Weight | 269.06 g/mol |
| LogP | 1.4148 |
| Topological Polar Surface Area | 64.85 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 269.06342 |
| Heavy Atoms | 18 |
| Complexity | 679.3468 |
Chemical Identifiers
| CAS Number | 116850-66-9 |
|---|---|
| SMILES | CCS(=O)(=O)C1=NN=C(N1C)C2=CC=CC=C2F |
Product Overview
4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl- (CAS 116850-66-9), with molecular formula C11H12FN3O2S and molecular weight 269.06 g/mol. IUPAC: 3-ethylsulfonyl-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole.
Chemical Property Profile of 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-
Property Insights of 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-
The XLogP value of 1.4148 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-. The TPSA of 64.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-. Following Lipinski's Rule of Five, 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl- 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
Frequently Asked Questions
What is the CAS number of 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-?
The CAS number of 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl- is 116850-66-9.
What is the molecular formula of 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-?
The molecular formula of 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl- is C11H12FN3O2S.
What is the molecular weight of 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-?
The molecular weight of 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl- is 269.06 g/mol.
Where can I buy 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-?
You can request a quote for 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl-?
Yes, KEHONG BIO provides custom synthesis services for 4H-1,2,4-Triazole, 3-(ethylsulfonyl)-5-(2-fluorophenyl)-4-methyl- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.