![4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide structure](/static/products/7019/701946-64-7.webp)
4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
TL;DR: 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 701946-64-7) is a chemical compound with molecular formula C26H24ClN5O2S and molecular weight 505.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide, 4-chloro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide, 4-chloro-N-[[4-phenyl-5-(1-phenylethylcarbamoylmethylsulfanyl)-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C26H24ClN5O2S |
|---|---|
| Molecular Weight | 505.13 g/mol |
| LogP | 4.8202 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 505.1339 |
| Heavy Atoms | 35 |
| Complexity | 1280.3671 |
Chemical Identifiers
| CAS Number | 701946-64-7 |
|---|---|
| SMILES | CC(C1=CC=CC=C1)NC(=O)CSC2=NN=C(N2C3=CC=CC=C3)CNC(=O)C4=CC=C(C=C4)Cl |
Product Overview
4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide (CAS 701946-64-7), with molecular formula C26H24ClN5O2S and molecular weight 505.13 g/mol. IUPAC: 4-chloro-N-[[5-[2-oxo-2-(1-phenylethylamino)ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
Property Insights of 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide
The XLogP value of 4.8202 indicates that 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-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 88.91 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide. Following Lipinski's Rule of Five, 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The CAS number of 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide is 701946-64-7.
What is the molecular formula of 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular formula of 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide is C26H24ClN5O2S.
What is the molecular weight of 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide?
The molecular weight of 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide is 505.13 g/mol.
Where can I buy 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide?
You can request a quote for 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-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 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-4-phenyl-4H-1,2,4-triazol-3-yl]methyl}benzamide?
Yes, KEHONG BIO provides custom synthesis services for 4-chloro-N-{[5-({2-oxo-2-[(1-phenylethyl)amino]ethyl}sulfanyl)-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.