(E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide
TL;DR: (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide (CAS 496795-91-6) is a chemical compound with molecular formula C23H16Cl2N6O3S and molecular weight 526.04 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-[(E)-(3-nitrophenyl)methylideneamino]acetamide
Also Known As: (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide, 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide
| Molecular Formula | C23H16Cl2N6O3S |
|---|---|
| Molecular Weight | 526.04 g/mol |
| LogP | 5.3917 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 526.03815 |
| Heavy Atoms | 35 |
| Complexity | 1391.3994 |
Chemical Identifiers
| CAS Number | 496795-91-6 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])/C=N/NC(=O)CSC2=NN=C(N2C3=CC=C(C=C3)Cl)C4=CC=C(C=C4)Cl |
Product Overview
(E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide (CAS 496795-91-6), with molecular formula C23H16Cl2N6O3S and molecular weight 526.04 g/mol. IUPAC: 2-[[4,5-bis(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-nitrophenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide
Property Insights of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide
The XLogP value of 5.3917 indicates that (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 115.31 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide?
The CAS number of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide is 496795-91-6.
What is the molecular formula of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide?
The molecular formula of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide is C23H16Cl2N6O3S.
What is the molecular weight of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide?
The molecular weight of (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide is 526.04 g/mol.
Where can I buy (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide?
You can request a quote for (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((4,5-bis(4-chlorophenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(3-nitrobenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.