(E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide
TL;DR: (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide (CAS 348588-32-9) is a chemical compound with molecular formula C22H24ClN5O3S and molecular weight 473.13 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-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide
Also Known As: (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide, 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide, 2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[3-methoxy-4-(propan-2-yloxy)phenyl]methylidene}acetohydrazide
| Molecular Formula | C22H24ClN5O3S |
|---|---|
| Molecular Weight | 473.13 g/mol |
| LogP | 4.1737 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 473.12885 |
| Heavy Atoms | 32 |
| Complexity | 1099.4458 |
Chemical Identifiers
| CAS Number | 348588-32-9 |
|---|---|
| SMILES | CC(C)OC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NN=C(N2C)C3=CC=C(C=C3)Cl)OC |
Product Overview
(E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide (CAS 348588-32-9), with molecular formula C22H24ClN5O3S and molecular weight 473.13 g/mol. IUPAC: 2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(3-methoxy-4-propan-2-yloxyphenyl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide
Property Insights of (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide
The XLogP value of 4.1737 indicates that (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide 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 (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide 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 (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide?
The CAS number of (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide is 348588-32-9.
What is the molecular formula of (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide is C22H24ClN5O3S.
What is the molecular weight of (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide is 473.13 g/mol.
Where can I buy (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-isopropoxy-3-methoxybenzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.