![4-chloro-N-({5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide structure](/static/products/7012/701290-85-9.webp)
4-chloro-N-({5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide
TL;DR: 4-chloro-N-({5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 701290-85-9) is a chemical compound with molecular formula C25H19ClF3N5O2S and molecular weight 545.09 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-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
Also Known As: 4-chloro-N-({5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide, 4-chloro-N-[[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide
| Molecular Formula | C25H19ClF3N5O2S |
|---|---|
| Molecular Weight | 545.09 g/mol |
| LogP | 5.6003 |
| Topological Polar Surface Area | 88.91 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 8 |
| Exact Mass | 545.09 |
| Heavy Atoms | 37 |
| Complexity | 1395.715 |
Chemical Identifiers
| CAS Number | 701290-85-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)N2C(=NN=C2SCC(=O)NC3=CC=CC(=C3)C(F)(F)F)CNC(=O)C4=CC=C(C=C4)Cl |
Product Overview
4-chloro-N-({5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide (CAS 701290-85-9), with molecular formula C25H19ClF3N5O2S and molecular weight 545.09 g/mol. IUPAC: 4-chloro-N-[[5-[2-oxo-2-[3-(trifluoromethyl)anilino]ethyl]sulfanyl-4-phenyl-1,2,4-triazol-3-yl]methyl]benzamide.
Chemical Property Profile of 4-chloro-N-({5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide
Property Insights of 4-chloro-N-({5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide
The XLogP value of 5.6003 indicates that 4-chloro-N-({5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]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-{[3-(trifluoromethyl)phenyl]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-{[3-(trifluoromethyl)phenyl]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-{[3-(trifluoromethyl)phenyl]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-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide is 701290-85-9.
What is the molecular formula of 4-chloro-N-({5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]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-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide is C25H19ClF3N5O2S.
What is the molecular weight of 4-chloro-N-({5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]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-{[3-(trifluoromethyl)phenyl]amino}ethyl)sulfanyl]-4-phenyl-4H-1,2,4-triazol-3-yl}methyl)benzamide is 545.09 g/mol.
Where can I buy 4-chloro-N-({5-[(2-oxo-2-{[3-(trifluoromethyl)phenyl]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-{[3-(trifluoromethyl)phenyl]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-{[3-(trifluoromethyl)phenyl]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-{[3-(trifluoromethyl)phenyl]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.