![2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide structure](/static/products/489/489441-18-1.png)
2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
TL;DR: 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide (CAS 489441-18-1) is a chemical compound with molecular formula C31H27N5O2S and molecular weight 533.19 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)-(3-phenoxyphenyl)methylideneamino]acetamide
Also Known As: 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide, (E)-2-((4,5-di-p-tolyl-4H-1,2,4-triazol-3-yl)thio)-N'-(3-phenoxybenzylidene)acetohydrazide, 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide, N-[(1E)-2-(3-phenoxyphenyl)-1-azavinyl]-2-[4,5-bis(4-methylphenyl)(1,2,4-triaz ol-3-ylthio)]acetamide
| Molecular Formula | C31H27N5O2S |
|---|---|
| Molecular Weight | 533.19 g/mol |
| LogP | 6.58584 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 533.18854 |
| Heavy Atoms | 39 |
| Complexity | 1580.1484 |
Chemical Identifiers
| CAS Number | 489441-18-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)C)SCC(=O)N/N=C/C4=CC(=CC=C4)OC5=CC=CC=C5 |
Product Overview
2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide (CAS 489441-18-1), with molecular formula C31H27N5O2S and molecular weight 533.19 g/mol. IUPAC: 2-[[4,5-bis(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-phenoxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
Property Insights of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide
The XLogP value of 6.58584 indicates that 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.4 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)-(3-phenoxyphenyl)methylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide 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 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide?
The CAS number of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide is 489441-18-1.
What is the molecular formula of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide?
The molecular formula of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide is C31H27N5O2S.
What is the molecular weight of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide?
The molecular weight of 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide is 533.19 g/mol.
Where can I buy 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)methylidene]acetohydrazide?
You can request a quote for 2-{[4,5-bis(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(3-phenoxyphenyl)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)-(3-phenoxyphenyl)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)-(3-phenoxyphenyl)methylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.