(Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate
TL;DR: (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate (CAS 496772-74-8) is a chemical compound with molecular formula C23H24ClN5O5S and molecular weight 517.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(Z)-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
Also Known As: (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate, [4-[(Z)-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate
| Molecular Formula | C23H24ClN5O5S |
|---|---|
| Molecular Weight | 517.12 g/mol |
| LogP | 3.8033 |
| Topological Polar Surface Area | 116.93 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 517.11865 |
| Heavy Atoms | 35 |
| Complexity | 1204.5352 |
Chemical Identifiers
| CAS Number | 496772-74-8 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C\C2=CC(=C(C(=C2)OC)OC(=O)C)OC)C3=CC=C(C=C3)Cl |
Product Overview
(Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate (CAS 496772-74-8), with molecular formula C23H24ClN5O5S and molecular weight 517.12 g/mol. IUPAC: [4-[(Z)-[[2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]hydrazinylidene]methyl]-2,6-dimethoxyphenyl] acetate.
Chemical Property Profile of (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate
Property Insights of (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate
The XLogP value of 3.8033 indicates that (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.93 Ų falls within the moderate polarity range, balancing permeability and solubility for (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate. Following Lipinski's Rule of Five, (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate?
The CAS number of (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate is 496772-74-8.
What is the molecular formula of (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate?
The molecular formula of (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate is C23H24ClN5O5S.
What is the molecular weight of (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate?
The molecular weight of (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate is 517.12 g/mol.
Where can I buy (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate?
You can request a quote for (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (Z)-4-((2-(2-((5-(4-chlorophenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)acetyl)hydrazono)methyl)-2,6-dimethoxyphenyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.