3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole
TL;DR: 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole (CAS 116850-65-8) is a chemical compound with molecular formula C11H12FN3OS and molecular weight 253.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethylsulfinyl-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole
Also Known As: 3-(Ethylsulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole, 3-ethylsulfinyl-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole, 5-ethylthio-4-methyl-3-phenyl-4H-1,2,4-triazole, 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole, 4H-1,2,4-Triazole, 3-(ethylsulfinyl)-5-(2-fluorophenyl)-4-methyl-
| Molecular Formula | C11H12FN3OS |
|---|---|
| Molecular Weight | 253.07 g/mol |
| LogP | 1.7487 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 253.06851 |
| Heavy Atoms | 17 |
| Complexity | 567.59424 |
Chemical Identifiers
| CAS Number | 116850-65-8 |
|---|---|
| SMILES | CCS(=O)C1=NN=C(N1C)C2=CC=CC=C2F |
Product Overview
3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole (CAS 116850-65-8), with molecular formula C11H12FN3OS and molecular weight 253.07 g/mol. IUPAC: 3-ethylsulfinyl-5-(2-fluorophenyl)-4-methyl-1,2,4-triazole.
Chemical Property Profile of 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole
Property Insights of 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole
The XLogP value of 1.7487 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole. With a topological polar surface area (TPSA) of 47.78 Ų, 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole has 0 hydrogen bond donor(s) and 3 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 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole?
The CAS number of 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole is 116850-65-8.
What is the molecular formula of 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole?
The molecular formula of 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole is C11H12FN3OS.
What is the molecular weight of 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole?
The molecular weight of 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole is 253.07 g/mol.
Where can I buy 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole?
You can request a quote for 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole?
Yes, KEHONG BIO provides custom synthesis services for 3-(Ethanesulfinyl)-5-(2-fluorophenyl)-4-methyl-4H-1,2,4-triazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.