N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
TL;DR: N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391897-04-4) is a chemical compound with molecular formula C18H18N4OS and molecular weight 338.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide
Also Known As: IFLab1_001925, N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide, N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide, F0507-0002, N-{[5-(ethylsulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
| Molecular Formula | C18H18N4OS |
|---|---|
| Molecular Weight | 338.12 g/mol |
| LogP | 3.3093 |
| Topological Polar Surface Area | 59.81 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 338.12012 |
| Heavy Atoms | 24 |
| Complexity | 802.4008 |
Chemical Identifiers
| CAS Number | 391897-04-4 |
|---|---|
| SMILES | CCSC1=NN=C(N1C2=CC=CC=C2)CNC(=O)C3=CC=CC=C3 |
Product Overview
N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide (CAS 391897-04-4), with molecular formula C18H18N4OS and molecular weight 338.12 g/mol. IUPAC: N-[(5-ethylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)methyl]benzamide.
Chemical Property Profile of N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
Property Insights of N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide
The XLogP value of 3.3093 indicates that N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 59.81 Ų, N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide has 1 hydrogen bond donor(s) and 4 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-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The CAS number of N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 391897-04-4.
What is the molecular formula of N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular formula of N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is C18H18N4OS.
What is the molecular weight of N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
The molecular weight of N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide is 338.12 g/mol.
Where can I buy N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
You can request a quote for N-((5-(ethylthio)-4-phenyl-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-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-((5-(ethylthio)-4-phenyl-4H-1,2,4-triazol-3-yl)methyl)benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.