![(E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide structure](/static/products/348/348591-05-9.png)
(E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
TL;DR: (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 348591-05-9) is a chemical compound with molecular formula C19H16ClN5O3S and molecular weight 429.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-{[5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C19H16ClN5O3S |
|---|---|
| Molecular Weight | 429.07 g/mol |
| LogP | 3.1066 |
| Topological Polar Surface Area | 90.63 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 429.06622 |
| Heavy Atoms | 29 |
| Complexity | 1085.4567 |
Chemical Identifiers
| CAS Number | 348591-05-9 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=CC3=C(C=C2)OCO3)C4=CC(=CC=C4)Cl |
Product Overview
(E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide (CAS 348591-05-9), with molecular formula C19H16ClN5O3S and molecular weight 429.07 g/mol. IUPAC: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(3-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
Property Insights of (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide
The XLogP value of 3.1066 indicates that (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)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)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide. Following Lipinski's Rule of Five, (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)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)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The CAS number of (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 348591-05-9.
What is the molecular formula of (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular formula of (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is C19H16ClN5O3S.
What is the molecular weight of (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
The molecular weight of (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide is 429.07 g/mol.
Where can I buy (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
You can request a quote for (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide?
Yes, KEHONG BIO provides custom synthesis services for (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(3-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.