![2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide structure](/static/products/489/489404-87-7.png)
2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
TL;DR: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide (CAS 489404-87-7) is a chemical compound with molecular formula C21H25N5OS2 and molecular weight 427.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide
Also Known As: 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide, (E)-2-((5-(4-(tert-butyl)phenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-(thiophen-2-ylmethylene)acetohydrazide, 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide, N-((1E)-2-(2-thienyl)-1-azavinyl)-2-{5-[4-(tert-butyl)phenyl]-4-ethyl(1,2,4-tr iazol-3-ylthio)}acetamide
| Molecular Formula | C21H25N5OS2 |
|---|---|
| Molecular Weight | 427.15 g/mol |
| LogP | 4.5664 |
| Topological Polar Surface Area | 72.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 427.15005 |
| Heavy Atoms | 29 |
| Complexity | 969.67267 |
Chemical Identifiers
| CAS Number | 489404-87-7 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CS2)C3=CC=C(C=C3)C(C)(C)C |
Product Overview
2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide (CAS 489404-87-7), with molecular formula C21H25N5OS2 and molecular weight 427.15 g/mol. IUPAC: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-thiophen-2-ylmethylideneamino]acetamide.
Chemical Property Profile of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
Property Insights of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide
The XLogP value of 4.5664 indicates that 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide 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 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide?
The CAS number of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide is 489404-87-7.
What is the molecular formula of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide?
The molecular formula of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide is C21H25N5OS2.
What is the molecular weight of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide?
The molecular weight of 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide is 427.15 g/mol.
Where can I buy 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide?
You can request a quote for 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-tert-butylphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-thiophen-2-ylmethylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.