![2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE structure](/static/products/4985/498544-29-9.webp)
2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE
TL;DR: 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE (CAS 498544-29-9) is a chemical compound with molecular formula C24H16Cl2F3N5OS and molecular weight 549.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide
Also Known As: 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE, 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide, 2-{[4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(Z)-[2-(trifluoromethyl)phenyl]methylidene}acetohydrazide, N-{(1Z)-2-[2-(trifluoromethyl)phenyl]-1-azavinyl}-2-[4,5-bis(4-chlorophenyl)(1 ,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C24H16Cl2F3N5OS |
|---|---|
| Molecular Weight | 549.04 g/mol |
| LogP | 6.5023 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 549.04047 |
| Heavy Atoms | 36 |
| Complexity | 1390.3849 |
Chemical Identifiers
| CAS Number | 498544-29-9 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=N\NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl)C(F)(F)F |
Product Overview
2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE (CAS 498544-29-9), with molecular formula C24H16Cl2F3N5OS and molecular weight 549.04 g/mol. IUPAC: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(Z)-[2-(trifluoromethyl)phenyl]methylideneamino]acetamide.
Chemical Property Profile of 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE
Property Insights of 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE
The XLogP value of 6.5023 indicates that 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.17 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE. Following Lipinski's Rule of Five, 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE has 1 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 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE?
The CAS number of 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE is 498544-29-9.
What is the molecular formula of 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE?
The molecular formula of 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE is C24H16Cl2F3N5OS.
What is the molecular weight of 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE?
The molecular weight of 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE is 549.04 g/mol.
Where can I buy 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE?
You can request a quote for 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4,5-BIS(4-CHLOROPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}-N'-{(E)-[2-(TRIFLUOROMETHYL)PHENYL]METHYLIDENE}ACETOHYDRAZIDE and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.