![N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide structure](/static/products/347/347909-27-7.png)
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
TL;DR: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 347909-27-7) 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-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Also Known As: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide, (E)-N'-(benzo[d][1,3]dioxol-5-ylmethylene)-2-((5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl)thio)acetohydrazide, N'-(1,3-benzodioxol-5-ylmethylene)-2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N'-[(E)-1,3-benzodioxol-5-ylmethylidene]-2-{[5-(4-chlorophenyl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetohydrazide, N'~1~-[(E)-1-(1,3-BENZODIOXOL-5-YL)METHYLIDENE]-2-{[5-(4-CHLOROPHENYL)-4-METHYL-4H-1,2,4-TRIAZOL-3-YL]SULFANYL}ACETOHYDRAZIDE
| 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 | 1068.2067 |
Chemical Identifiers
| CAS Number | 347909-27-7 |
|---|---|
| SMILES | CN1C(=NN=C1SCC(=O)N/N=C/C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)Cl |
Product Overview
N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide (CAS 347909-27-7), with molecular formula C19H16ClN5O3S and molecular weight 429.07 g/mol. IUPAC: N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
Property Insights of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
The XLogP value of 3.1066 indicates that N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide 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 N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide. Following Lipinski's Rule of Five, N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide 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 N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The CAS number of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 347909-27-7.
What is the molecular formula of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular formula of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is C19H16ClN5O3S.
What is the molecular weight of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
The molecular weight of N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide is 429.07 g/mol.
Where can I buy N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
You can request a quote for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide?
Yes, KEHONG BIO provides custom synthesis services for N-[(E)-1,3-benzodioxol-5-ylmethylideneamino]-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.