N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide
TL;DR: N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide (CAS 391898-67-2) is a chemical compound with molecular formula C19H19FN4O2S and molecular weight 386.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-ethylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide
Also Known As: N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide, N-[[5-ethylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide, N-{[5-(ethylsulfanyl)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl]methyl}-2-fluorobenzamide
| Molecular Formula | C19H19FN4O2S |
|---|---|
| Molecular Weight | 386.12 g/mol |
| LogP | 3.457 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 386.12128 |
| Heavy Atoms | 27 |
| Complexity | 944.964 |
Chemical Identifiers
| CAS Number | 391898-67-2 |
|---|---|
| SMILES | CCSC1=NN=C(N1C2=CC=CC=C2OC)CNC(=O)C3=CC=CC=C3F |
Product Overview
N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide (CAS 391898-67-2), with molecular formula C19H19FN4O2S and molecular weight 386.12 g/mol. IUPAC: N-[[5-ethylsulfanyl-4-(2-methoxyphenyl)-1,2,4-triazol-3-yl]methyl]-2-fluorobenzamide.
Chemical Property Profile of N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide
Property Insights of N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide
The XLogP value of 3.457 indicates that N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide. Following Lipinski's Rule of Five, N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide has 1 hydrogen bond donor(s) and 5 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 N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide?
The CAS number of N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide is 391898-67-2.
What is the molecular formula of N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide?
The molecular formula of N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide is C19H19FN4O2S.
What is the molecular weight of N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide?
The molecular weight of N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide is 386.12 g/mol.
Where can I buy N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide?
You can request a quote for N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((5-(ethylthio)-4-(2-methoxyphenyl)-4H-1,2,4-triazol-3-yl)methyl)-2-fluorobenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.