(4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate
TL;DR: (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate (CAS 383372-62-1) is a chemical compound with molecular formula C23H17Cl2N5OS and molecular weight 481.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate
Also Known As: (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate, (E)-4,5-diphenyl-4H-1,2,4-triazol-3-yl N'-(2,4-dichlorophenyl)-2-oxopropanehydrazonothioate, 4,5-diphenyl-4H-1,2,4-triazol-3-yl (1E)-N-(2,4-dichlorophenyl)-2-oxopropanehydrazonothioate, propanehydrazonothioic acid, N-(2,4-dichlorophenyl)-2-oxo-, 4,5-diphenyl-4H-1,2,4-triazol-3-yl ester, (1E)-
| Molecular Formula | C23H17Cl2N5OS |
|---|---|
| Molecular Weight | 481.05 g/mol |
| LogP | 6.3478 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 481.0531 |
| Heavy Atoms | 32 |
| Complexity | 1276.3086 |
Chemical Identifiers
| CAS Number | 383372-62-1 |
|---|---|
| SMILES | CC(=O)/C(=N\NC1=C(C=C(C=C1)Cl)Cl)/SC2=NN=C(N2C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
(4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate (CAS 383372-62-1), with molecular formula C23H17Cl2N5OS and molecular weight 481.05 g/mol. IUPAC: (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate.
Chemical Property Profile of (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate
Property Insights of (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate
The XLogP value of 6.3478 indicates that (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate 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 (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate. Following Lipinski's Rule of Five, (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate 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 (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate?
The CAS number of (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate is 383372-62-1.
What is the molecular formula of (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate?
The molecular formula of (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate is C23H17Cl2N5OS.
What is the molecular weight of (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate?
The molecular weight of (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate is 481.05 g/mol.
Where can I buy (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate?
You can request a quote for (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate?
Yes, KEHONG BIO provides custom synthesis services for (4,5-diphenyl-1,2,4-triazol-3-yl) (1E)-N-(2,4-dichloroanilino)-2-oxopropanimidothioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.