![2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide structure](/static/products/488/488709-63-3.png)
2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
TL;DR: 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide (CAS 488709-63-3) is a chemical compound with molecular formula C25H21ClN6O4S and molecular weight 536.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide
Also Known As: 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide, (E)-2-((5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl)thio)-N'-(4-nitrobenzylidene)acetohydrazide, 2-[[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide, N-[(1E)-2-(4-nitrophenyl)-1-azavinyl]-2-[5-(4-chlorophenyl)-4-(4-ethoxyphenyl) (1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C25H21ClN6O4S |
|---|---|
| Molecular Weight | 536.10 g/mol |
| LogP | 5.137 |
| Topological Polar Surface Area | 124.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 536.10333 |
| Heavy Atoms | 37 |
| Complexity | 1406.8849 |
Chemical Identifiers
| CAS Number | 488709-63-3 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl |
Product Overview
2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide (CAS 488709-63-3), with molecular formula C25H21ClN6O4S and molecular weight 536.10 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-nitrophenyl)methylideneamino]acetamide.
Chemical Property Profile of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
Property Insights of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide
The XLogP value of 5.137 indicates that 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 124.54 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide. Following Lipinski's Rule of Five, 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide has 1 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide?
The CAS number of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide is 488709-63-3.
What is the molecular formula of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide?
The molecular formula of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide is C25H21ClN6O4S.
What is the molecular weight of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide?
The molecular weight of 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide is 536.10 g/mol.
Where can I buy 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide?
You can request a quote for 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-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-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-{[5-(4-chlorophenyl)-4-(4-ethoxyphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(4-nitrophenyl)methylidene]acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.