N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
TL;DR: N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide (CAS 476447-96-8) is a chemical compound with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[5-ethylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
Also Known As: F0528-0516, N-{[5-(ethylsulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}-4-methoxybenzamide, N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide, N-[(5-ethylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide, N-[[5-ethylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide
| Molecular Formula | C21H24N4O2S |
|---|---|
| Molecular Weight | 396.16 g/mol |
| LogP | 3.5714 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 396.162 |
| Heavy Atoms | 28 |
| Complexity | 894.5289 |
Chemical Identifiers
| CAS Number | 476447-96-8 |
|---|---|
| SMILES | CCSC1=NN=C(N1CCC2=CC=CC=C2)CNC(=O)C3=CC=C(C=C3)OC |
Product Overview
N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide (CAS 476447-96-8), with molecular formula C21H24N4O2S and molecular weight 396.16 g/mol. IUPAC: N-[[5-ethylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]-4-methoxybenzamide.
Chemical Property Profile of N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
Property Insights of N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide
The XLogP value of 3.5714 indicates that N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide 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-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide. Following Lipinski's Rule of Five, N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide 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-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide?
The CAS number of N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide is 476447-96-8.
What is the molecular formula of N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide?
The molecular formula of N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide is C21H24N4O2S.
What is the molecular weight of N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide?
The molecular weight of N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide is 396.16 g/mol.
Where can I buy N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide?
You can request a quote for N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide 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-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((5-(ethylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)-4-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.