(E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide
TL;DR: (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide (CAS 348586-97-0) is a chemical compound with molecular formula C20H21ClN6OS and molecular weight 428.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
Also Known As: (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide, 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(4-dimethylaminophenyl)methylideneamino]acetamide, 2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-{(E)-[4-(dimethylamino)phenyl]methylidene}acetohydrazide
| Molecular Formula | C20H21ClN6OS |
|---|---|
| Molecular Weight | 428.12 g/mol |
| LogP | 3.4439 |
| Topological Polar Surface Area | 75.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 428.11862 |
| Heavy Atoms | 29 |
| Complexity | 1016.0658 |
Chemical Identifiers
| CAS Number | 348586-97-0 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=CC=C(C=C2)N(C)C)C3=CC(=CC=C3)Cl |
Product Overview
(E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide (CAS 348586-97-0), with molecular formula C20H21ClN6OS and molecular weight 428.12 g/mol. IUPAC: 2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide
Property Insights of (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide
The XLogP value of 3.4439 indicates that (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.41 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide has 1 hydrogen bond donor(s) and 6 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-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide?
The CAS number of (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide is 348586-97-0.
What is the molecular formula of (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide?
The molecular formula of (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide is C20H21ClN6OS.
What is the molecular weight of (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide?
The molecular weight of (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide is 428.12 g/mol.
Where can I buy (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide?
You can request a quote for (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)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-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)-N'-(4-(dimethylamino)benzylidene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.