(E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide
TL;DR: (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide (CAS 488733-75-1) is a chemical compound with molecular formula C20H24N6O3S and molecular weight 428.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide
Also Known As: (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide, 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide, 2-{[5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide, N-[(1E)-2-(1-methylpyrrol-2-yl)-1-azavinyl]-2-[5-(3,4-dimethoxyphenyl)-4-ethyl (1,2,4-triazol-3-ylthio)]acetamide
| Molecular Formula | C20H24N6O3S |
|---|---|
| Molecular Weight | 428.16 g/mol |
| LogP | 2.5631 |
| Topological Polar Surface Area | 95.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 428.16306 |
| Heavy Atoms | 30 |
| Complexity | 1043.0939 |
Chemical Identifiers
| CAS Number | 488733-75-1 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)N/N=C/C2=CC=CN2C)C3=CC(=C(C=C3)OC)OC |
Product Overview
(E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide (CAS 488733-75-1), with molecular formula C20H24N6O3S and molecular weight 428.16 g/mol. IUPAC: 2-[[5-(3,4-dimethoxyphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]-N-[(E)-(1-methylpyrrol-2-yl)methylideneamino]acetamide.
Chemical Property Profile of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide
Property Insights of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide
The XLogP value of 2.5631 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide. The TPSA of 95.56 Ų falls within the moderate polarity range, balancing permeability and solubility for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide. Following Lipinski's Rule of Five, (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)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-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide?
The CAS number of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide is 488733-75-1.
What is the molecular formula of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide?
The molecular formula of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide is C20H24N6O3S.
What is the molecular weight of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide?
The molecular weight of (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide is 428.16 g/mol.
Where can I buy (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide?
You can request a quote for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)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-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-2-((5-(3,4-dimethoxyphenyl)-4-ethyl-4H-1,2,4-triazol-3-yl)thio)-N'-((1-methyl-1H-pyrrol-2-yl)methylene)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.