4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
TL;DR: 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 476447-86-6) is a chemical compound with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-N-[[5-methylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: IFLab1_002100, F0528-0506, 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide, 4-methoxy-N-{[5-(methylsulfanyl)-4-(2-phenylethyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, 4-methoxy-N-[(5-methylsulfanyl-4-phenethyl-1,2,4-triazol-3-yl)methyl]benzamide
| Molecular Formula | C20H22N4O2S |
|---|---|
| Molecular Weight | 382.15 g/mol |
| LogP | 3.1813 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 382.14636 |
| Heavy Atoms | 27 |
| Complexity | 878.7572 |
Chemical Identifiers
| CAS Number | 476447-86-6 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C(=O)NCC2=NN=C(N2CCC3=CC=CC=C3)SC |
Product Overview
4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 476447-86-6), with molecular formula C20H22N4O2S and molecular weight 382.15 g/mol. IUPAC: 4-methoxy-N-[[5-methylsulfanyl-4-(2-phenylethyl)-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
Property Insights of 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
The XLogP value of 3.1813 indicates that 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide 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 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide. Following Lipinski's Rule of Five, 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide 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 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The CAS number of 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 476447-86-6.
What is the molecular formula of 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular formula of 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is C20H22N4O2S.
What is the molecular weight of 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular weight of 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 382.15 g/mol.
Where can I buy 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
You can request a quote for 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-methoxy-N-((5-(methylthio)-4-phenethyl-4H-1,2,4-triazol-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.