2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide
TL;DR: 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide (CAS 347909-12-0) 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-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
Also Known As: 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide, 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide
| Molecular Formula | C25H21ClN6O4S |
|---|---|
| Molecular Weight | 536.10 g/mol |
| LogP | 4.8651 |
| 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 | 1424.1349 |
Chemical Identifiers
| CAS Number | 347909-12-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)NN=CC2=CC=CC=C2OCC3=CC=C(C=C3)[N+](=O)[O-])C4=CC=C(C=C4)Cl |
Product Overview
2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide (CAS 347909-12-0), with molecular formula C25H21ClN6O4S and molecular weight 536.10 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[[2-[(4-nitrophenyl)methoxy]phenyl]methylideneamino]acetamide.
Chemical Property Profile of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide
Property Insights of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide
The XLogP value of 4.8651 indicates that 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)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-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide. Following Lipinski's Rule of Five, 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)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-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide?
The CAS number of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide is 347909-12-0.
What is the molecular formula of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide?
The molecular formula of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide is C25H21ClN6O4S.
What is the molecular weight of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide?
The molecular weight of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide is 536.10 g/mol.
Where can I buy 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide?
You can request a quote for 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)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-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(2-((4-nitrobenzyl)oxy)benzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.