![N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide structure](/static/products/6944/694467-52-2.webp)
N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
TL;DR: N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide (CAS 694467-52-2) is a chemical compound with molecular formula C20H18Cl3N5O2S and molecular weight 497.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[1-[4-methyl-5-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
Also Known As: N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide, N-[1-[4-methyl-5-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide
| Molecular Formula | C20H18Cl3N5O2S |
|---|---|
| Molecular Weight | 497.02 g/mol |
| LogP | 4.9971 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.0247 |
| Heavy Atoms | 31 |
| Complexity | 1084.4448 |
Chemical Identifiers
| CAS Number | 694467-52-2 |
|---|---|
| SMILES | CC(C1=NN=C(N1C)SCC(=O)NC2=C(C=C(C=C2Cl)Cl)Cl)NC(=O)C3=CC=CC=C3 |
Product Overview
N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide (CAS 694467-52-2), with molecular formula C20H18Cl3N5O2S and molecular weight 497.02 g/mol. IUPAC: N-[1-[4-methyl-5-[2-oxo-2-(2,4,6-trichloroanilino)ethyl]sulfanyl-1,2,4-triazol-3-yl]ethyl]benzamide.
Chemical Property Profile of N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
Property Insights of N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide
The XLogP value of 4.9971 indicates that N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide. Following Lipinski's Rule of Five, N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide has 2 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-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The CAS number of N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide is 694467-52-2.
What is the molecular formula of N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The molecular formula of N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide is C20H18Cl3N5O2S.
What is the molecular weight of N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
The molecular weight of N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide is 497.02 g/mol.
Where can I buy N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
You can request a quote for N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for N-{1-[4-methyl-5-({2-oxo-2-[(2,4,6-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]ethyl}benzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.