![(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide structure](/static/products/573/573949-16-3.png)
(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide
TL;DR: (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide (CAS 573949-16-3) is a chemical compound with molecular formula C21H22ClN5O3S and molecular weight 459.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
Also Known As: (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide, (E)-N'-(1-(4-((2-chlorobenzyl)oxy)-3-methoxyphenyl)ethylidene)-2-((4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(1E)-1-{4-[(2-chlorobenzyl)oxy]-3-methoxyphenyl}ethylidene]-2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]acetohydrazide
| Molecular Formula | C21H22ClN5O3S |
|---|---|
| Molecular Weight | 459.11 g/mol |
| LogP | 3.6886 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 459.1132 |
| Heavy Atoms | 31 |
| Complexity | 1086.3821 |
Chemical Identifiers
| CAS Number | 573949-16-3 |
|---|---|
| SMILES | C/C(=N\NC(=O)CSC1=NN=CN1C)/C2=CC(=C(C=C2)OCC3=CC=CC=C3Cl)OC |
Product Overview
(4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide (CAS 573949-16-3), with molecular formula C21H22ClN5O3S and molecular weight 459.11 g/mol. IUPAC: N-[(E)-1-[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]ethylideneamino]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide.
Chemical Property Profile of (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide
Property Insights of (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide
The XLogP value of 3.6886 indicates that (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.63 Ų falls within the moderate polarity range, balancing permeability and solubility for (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide. Following Lipinski's Rule of Five, (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide has 1 hydrogen bond donor(s) and 7 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 (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide?
The CAS number of (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide is 573949-16-3.
What is the molecular formula of (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide?
The molecular formula of (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide is C21H22ClN5O3S.
What is the molecular weight of (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide?
The molecular weight of (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide is 459.11 g/mol.
Where can I buy (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide?
You can request a quote for (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide?
Yes, KEHONG BIO provides custom synthesis services for (4-Methyl-4H-[1,2,4]triazol-3-ylsulfanyl)-acetic acid [1-[4-(2-chloro-benzyloxy)-3-methoxy-phenyl]-eth-(E)-ylidene]-hydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.