![2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide structure](/static/products/488/488108-76-5.png)
2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide
TL;DR: 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide (CAS 488108-76-5) is a chemical compound with molecular formula C25H21ClN6O3S and molecular weight 520.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide
Also Known As: 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide, (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((4,5-di-p-tolyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide, 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]thio}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide, N-[(1E)-2-(2-chloro-5-nitrophenyl)-1-azavinyl]-2-[4,5-bis(4-methylphenyl)(1,2, 4-triazol-3-ylthio)]acetamide
| Molecular Formula | C25H21ClN6O3S |
|---|---|
| Molecular Weight | 520.11 g/mol |
| LogP | 5.35514 |
| Topological Polar Surface Area | 115.31 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 520.10846 |
| Heavy Atoms | 36 |
| Complexity | 1435.4375 |
Chemical Identifiers
| CAS Number | 488108-76-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)N/N=C/C4=C(C=CC(=C4)[N+](=O)[O-])Cl |
Product Overview
2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide (CAS 488108-76-5), with molecular formula C25H21ClN6O3S and molecular weight 520.11 g/mol. IUPAC: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]acetamide.
Chemical Property Profile of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide
Property Insights of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide
The XLogP value of 5.35514 indicates that 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]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 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]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 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide?
The CAS number of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide is 488108-76-5.
What is the molecular formula of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide?
The molecular formula of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide is C25H21ClN6O3S.
What is the molecular weight of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide?
The molecular weight of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide is 520.11 g/mol.
Where can I buy 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide?
You can request a quote for 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)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-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(2-chloro-5-nitrophenyl)methylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.