N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide
TL;DR: N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391897-53-3) is a chemical compound with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[4-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: F0507-0089, N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide, N-{[4-(2-methoxyphenyl)-5-(methylsulfanyl)-4H-1,2,4-triazol-3-yl]methyl}benzamide, N-[[4-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C18H18N4O2S |
|---|---|
| Molecular Weight | 354.12 g/mol |
| LogP | 2.9278 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 354.11505 |
| Heavy Atoms | 25 |
| Complexity | 864.52246 |
Chemical Identifiers
| CAS Number | 391897-53-3 |
|---|---|
| SMILES | COC1=CC=CC=C1N2C(=NN=C2SC)CNC(=O)C3=CC=CC=C3 |
Product Overview
N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391897-53-3), with molecular formula C18H18N4O2S and molecular weight 354.12 g/mol. IUPAC: N-[[4-(2-methoxyphenyl)-5-methylsulfanyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide
Property Insights of N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide
The XLogP value of 2.9278 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide. Following Lipinski's Rule of Five, N-((4-(2-methoxyphenyl)-5-(methylthio)-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 N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The CAS number of N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide is 391897-53-3.
What is the molecular formula of N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular formula of N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide is C18H18N4O2S.
What is the molecular weight of N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular weight of N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide is 354.12 g/mol.
Where can I buy N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
You can request a quote for N-((4-(2-methoxyphenyl)-5-(methylthio)-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 N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((4-(2-methoxyphenyl)-5-(methylthio)-4H-1,2,4-triazol-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.