2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide
TL;DR: 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide (CAS 348587-86-0) is a chemical compound with molecular formula C20H20ClN5O3S and molecular weight 445.10 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-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide
Also Known As: 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide, 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide
| Molecular Formula | C20H20ClN5O3S |
|---|---|
| Molecular Weight | 445.10 g/mol |
| LogP | 3.4822 |
| Topological Polar Surface Area | 101.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 445.09753 |
| Heavy Atoms | 30 |
| Complexity | 1053.0956 |
Chemical Identifiers
| CAS Number | 348587-86-0 |
|---|---|
| SMILES | CCOC1=C(C=C(C=C1)C=NNC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl)O |
Product Overview
2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide (CAS 348587-86-0), with molecular formula C20H20ClN5O3S and molecular weight 445.10 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(4-ethoxy-3-hydroxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide
Property Insights of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide
The XLogP value of 3.4822 indicates that 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.63 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'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide. Following Lipinski's Rule of Five, 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide has 2 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 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide?
The CAS number of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide is 348587-86-0.
What is the molecular formula of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide?
The molecular formula of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide is C20H20ClN5O3S.
What is the molecular weight of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide?
The molecular weight of 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide is 445.10 g/mol.
Where can I buy 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide?
You can request a quote for 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)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'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for 2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-ethoxy-3-hydroxybenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.