(E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate
TL;DR: (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate (CAS 383371-47-9) is a chemical compound with molecular formula C23H16Cl3N5OS and molecular weight 515.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl] (1E)-N-(3-chloroanilino)-2-oxopropanimidothioate
Also Known As: (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate, [5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl] (1E)-N-(3-chloroanilino)-2-oxopropanimidothioate, 5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl (1E)-N-(3-chlorophenyl)-2-oxopropanehydrazonothioate
| Molecular Formula | C23H16Cl3N5OS |
|---|---|
| Molecular Weight | 515.01 g/mol |
| LogP | 7.0012 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 515.0141 |
| Heavy Atoms | 33 |
| Complexity | 1341.1936 |
Chemical Identifiers
| CAS Number | 383371-47-9 |
|---|---|
| SMILES | CC(=O)/C(=N\NC1=CC(=CC=C1)Cl)/SC2=NN=C(N2C3=CC=CC=C3)C4=C(C=C(C=C4)Cl)Cl |
Product Overview
(E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate (CAS 383371-47-9), with molecular formula C23H16Cl3N5OS and molecular weight 515.01 g/mol. IUPAC: [5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl] (1E)-N-(3-chloroanilino)-2-oxopropanimidothioate.
Chemical Property Profile of (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate
Property Insights of (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate
The XLogP value of 7.0012 indicates that (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate 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 (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate. Following Lipinski's Rule of Five, (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate?
The CAS number of (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate is 383371-47-9.
What is the molecular formula of (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate?
The molecular formula of (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate is C23H16Cl3N5OS.
What is the molecular weight of (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate?
The molecular weight of (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate is 515.01 g/mol.
Where can I buy (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate?
You can request a quote for (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate?
Yes, KEHONG BIO provides custom synthesis services for (E)-5-(2,4-dichlorophenyl)-4-phenyl-4H-1,2,4-triazol-3-yl N'-(3-chlorophenyl)-2-oxopropanehydrazonothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.