(E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 488796-48-1) 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.
N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-(2-CHLORO-5-NITROPHENYL)METHYLIDENE]-2-{[5-(4-METHOXYPHENYL)-4-(4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETOHYDRAZIDE, N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C25H21ClN6O4S |
|---|---|
| Molecular Weight | 536.10 g/mol |
| LogP | 5.05532 |
| Topological Polar Surface Area | 124.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 536.10333 |
| Heavy Atoms | 37 |
| Complexity | 1455.2958 |
Chemical Identifiers
| CAS Number | 488796-48-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)N/N=C/C3=C(C=CC(=C3)[N+](=O)[O-])Cl)C4=CC=C(C=C4)OC |
Product Overview
(E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 488796-48-1), with molecular formula C25H21ClN6O4S and molecular weight 536.10 g/mol. IUPAC: N-[(E)-(2-chloro-5-nitrophenyl)methylideneamino]-2-[[5-(4-methoxyphenyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 5.05532 indicates that (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)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 (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)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 (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 488796-48-1.
What is the molecular formula of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C25H21ClN6O4S.
What is the molecular weight of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 536.10 g/mol.
Where can I buy (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(2-chloro-5-nitrobenzylidene)-2-((5-(4-methoxyphenyl)-4-(p-tolyl)-4H-1,2,4-triazol-3-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.